NQO1

Summary

NQO1 (NAD(P)H quinone dehydrogenase 1, HGNC:2874) is a protein-coding gene on chromosome 16q22.1, encoding NAD(P)H dehydrogenase [quinone] 1 (P15559). Flavin-containing quinone reductase that catalyzes two-electron reduction of quinones to hydroquinones using either NADH or NADPH as electron donors. In precision oncology, NQO1 Overexpression confers sensitivity to NSC84167 in Pancreatic Ductal Adenocarcinoma (CIViC Level D); 2 further curated variant–drug associations are listed below.

This gene is a member of the NAD(P)H dehydrogenase (quinone) family and encodes a cytoplasmic 2-electron reductase. This FAD-binding protein forms homodimers and reduces quinones to hydroquinones. This protein’s enzymatic activity prevents the one electron reduction of quinones that results in the production of radical species. Mutations in this gene have been associated with tardive dyskinesia (TD), an increased risk of hematotoxicity after exposure to benzene, and susceptibility to various forms of cancer. Altered expression of this protein has been seen in many tumors and is also associated with Alzheimer’s disease (AD). Alternate transcriptional splice variants, encoding different isoforms, have been characterized.

Source: NCBI Gene 1728 — RefSeq curated summary.

At a glance

• GWAS associations: 15
• Clinical variants (ClinVar): 278 total — 2 likely-pathogenic
• Druggable target: yes — 4 molecules with ChEMBL bioactivity
• Precision-oncology evidence (CIViC): 3 curated variant–drug associations
• MANE Select transcript: NM_000903

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:2874
Approved symbol	NQO1
Name	NAD(P)H quinone dehydrogenase 1
Location	16q22.1
Locus type	gene with protein product
Status	Approved
Aliases	DHQU, QR1, DTD
Ensembl gene	ENSG00000181019
Ensembl biotype	protein_coding
OMIM	125860
Entrez	1728

Gene structure

Transcript identifiers

Ensembl transcripts: 7 — 6 protein_coding, 1 retained_intron

ENST00000320623, ENST00000379046, ENST00000379047, ENST00000439109, ENST00000561500, ENST00000564043, ENST00000569118

RefSeq mRNA: 4 — MANE Select: NM_000903 NM_000903, NM_001025433, NM_001025434, NM_001286137

CCDS: CCDS10883, CCDS32471, CCDS32472, CCDS67067

Canonical transcript exons

ENST00000320623 — 6 exons

Exon	Start	End
ENSE00001241503	69713028	69713129
ENSE00001241509	69714964	69715077
ENSE00001241515	69718123	69718253
ENSE00001819797	69709401	69711281
ENSE00002276520	69726433	69726560
ENSE00003662302	69718370	69718534

Expression profiles

Bgee: expression breadth ubiquitous, 285 present calls, max score 99.17.

FANTOM5 (CAGE): breadth ubiquitous, TPM avg 220.2295 / max 3885.5821, expressed in 1737 samples.

FANTOM5 promoters (2 alternative TSS)

Promoter ID	TPM avg	Samples expressed
157916	219.6322	1736
157915	0.5973	265

Top tissues by expression

293 total, by Bgee expression score (0-100, higher = more expressed):

Tissue	Anatomy ID	Expression score	Quality
endometrium epithelium	UBERON:0004811	99.17	gold quality
gall bladder	UBERON:0002110	98.75	gold quality
stromal cell of endometrium	CL:0002255	98.70	gold quality
nasal cavity epithelium	UBERON:0005384	98.48	gold quality
olfactory segment of nasal mucosa	UBERON:0005386	98.37	gold quality
renal glomerulus	UBERON:0000074	97.88	gold quality
metanephric glomerulus	UBERON:0004736	97.87	gold quality
bronchial epithelial cell	CL:0002328	97.86	gold quality
bronchus	UBERON:0002185	97.83	gold quality
epithelium of bronchus	UBERON:0002031	97.81	gold quality
lower esophagus mucosa	UBERON:0035834	97.78	gold quality
islet of Langerhans	UBERON:0000006	97.44	gold quality
pylorus	UBERON:0001166	97.24	gold quality
choroid plexus epithelium	UBERON:0003911	97.21	gold quality
duodenum	UBERON:0002114	97.03	gold quality
right adrenal gland cortex	UBERON:0035827	96.99	gold quality
esophagus mucosa	UBERON:0002469	96.78	gold quality
pancreatic ductal cell	CL:0002079	96.72	gold quality
right adrenal gland	UBERON:0001233	96.66	gold quality
rectum	UBERON:0001052	96.50	gold quality
left adrenal gland	UBERON:0001234	96.19	gold quality
mucosa of transverse colon	UBERON:0004991	96.16	gold quality
epithelium of nasopharynx	UBERON:0001951	95.96	gold quality
body of stomach	UBERON:0001161	95.95	gold quality
jejunal mucosa	UBERON:0000399	95.89	gold quality
esophagus squamous epithelium	UBERON:0006920	95.82	gold quality
right lobe of thyroid gland	UBERON:0001119	95.78	gold quality
epithelium of esophagus	UBERON:0001976	95.73	gold quality
left adrenal gland cortex	UBERON:0035825	95.67	gold quality
adipose tissue	UBERON:0001013	95.65	gold quality

Single-cell (SCXA)

Detected in 12 experiment(s), a significant marker in 7.

Experiment	Marker?	Max mean expression
E-GEOD-93593	yes	980.62
E-MTAB-6653	yes	959.12
E-MTAB-10855	yes	524.34
E-MTAB-3929	yes	155.75
E-MTAB-8410	yes	47.80
E-MTAB-5061	yes	6.30
E-GEOD-81383	no	7673.56
E-MTAB-7052	no	1657.47
E-MTAB-6524	no	176.39
E-GEOD-100618	no	91.73
E-CURD-89	no	8.96
E-ANND-3	no	0.00

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): AHR, AP1, APEX1, BACH1, ESR1, FOS, FOSL1, FOXC1, HR, JUN, JUNB, JUND, KLF2, MAF, MAFA, MAFG, MAFK, NFE2L1, NFE2L2, NFE2L3, NFKB1, NFKB, NRF1, PARK7, RELA, SIRT1, TCF3, TFAP2A, TP53, TP63

miRNA regulators (miRDB)

98 targeting NQO1, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):

miRNA	Max score	Avg score	miRNA target_count
HSA-MIR-3613-3P	100.00	76.36	7965
HSA-MIR-5692B	100.00	71.32	2622
HSA-MIR-5692C	100.00	71.32	2622
HSA-MIR-1184	99.99	68.19	1458
HSA-MIR-3148	99.97	75.06	6478
HSA-MIR-548AJ-3P	99.96	73.38	5345
HSA-MIR-548X-3P	99.96	73.38	5345
HSA-MIR-1250-3P	99.96	70.04	4038
HSA-MIR-548AB	99.95	71.31	3488
HSA-MIR-548J-3P	99.94	72.61	4881
HSA-MIR-548AD-5P	99.94	71.23	3502
HSA-MIR-548AE-5P	99.94	71.23	3502
HSA-MIR-548AY-5P	99.94	71.23	3502
HSA-MIR-548B-5P	99.94	71.23	3502
HSA-MIR-548D-5P	99.94	71.23	3502
HSA-MIR-539-5P	99.93	70.30	2855
HSA-MIR-548AE-3P	99.93	72.66	4867
HSA-MIR-548AH-3P	99.93	72.54	4872
HSA-MIR-548AM-3P	99.93	72.54	4872
HSA-MIR-548AQ-3P	99.93	72.66	4867
HSA-MIR-4760-3P	99.93	70.50	2385
HSA-MIR-5680	99.91	69.83	3421
HSA-MIR-6499-3P	99.90	66.38	1212
HSA-MIR-153-5P	99.89	73.86	6317
HSA-MIR-605-3P	99.88	69.22	1833
HSA-MIR-6780A-5P	99.88	66.69	2776
HSA-MIR-4728-5P	99.85	69.39	4718
HSA-MIR-369-3P	99.85	70.52	2264
HSA-MIR-6785-5P	99.82	68.68	4428
HSA-MIR-3133	99.81	70.92	3506

Literature-anchored findings (GeneRIF, showing 40)

• polymorphisms associated with idiopathic Parkinson’s disease (PMID:11688992)
• Interaction of the molecular chaperone Hsp70 with human NAD(P)H:quinone oxidoreductase 1. (PMID:11821413)
• Lack of NQO1 induction in human tumors is not due to changes in promoter region. (PMID:11894133)
• Site-directed mutagenesis of cysteine to serine in the DNA binding region of Nrf2 decreases its capacity to upregulate antioxidant response element-mediated expression and antioxidant induction of NAD(P)H:quinone oxidoreductase1 gene (PMID:11948402)
• Glutathione S-transferase P1 and NADPH quinone oxidoreductase polymorphisms are associated with aberrant promoter methylation of P16(INK4a) and O(6)-methylguanine-DNA methyltransferase in sputum. (PMID:11956078)
• NQO1-Pro/Pro genotype is a risk factor for lung adenocarcinoma development (PMID:12163326)
• A novel plasma membrane quinone reductase and NAD(P)H:quinone oxidoreductase 1 are upregulated by serum withdrawal in human promyelocytic HL-60 cells as a model to analyze cell responses to oxidative stress. (PMID:12171070)
• The 465 SNP was the major cause of increased alternative splicing and decreased expression of NQO1 protein in HCT-116R30A cells. (PMID:12172217)
• NQO1 regulates p53 proteasomal degradation independently of MDM2 and ubiquitin. (PMID:12232053)
• laminar flow-induced promoter activation in endothelial cells is inhibited by expression of antisense Nrf2 (PMID:12370194)
• Benzo(a)pyrene activates extracellular signal-related and p38 mitogen-activated protein kinases in HT29 colon adenocarcinoma cells: involvement in NAD(P)H:quinone reductase activity and cell proliferation (PMID:12383707)
• The genotype distribution of the NQO1 gene does not indicate a role for base excision repair in the development of therapy-related acute myeloblastic leukemia (PMID:12393447)
• inactivating NQO1 polymorphism is associated with an increased risk of de novo leukemia with MLL translocations in infants and children (PMID:12393620)
• association between p53 and NQO1 that may represent an alternate mechanism of p53 stabilization by NQO1 in a wide variety of human cell types. (PMID:12529318)
• the NQO1 genetic polymorphism elevates bladder cancer risk, especially in male Caucasian smokers (PMID:12694753)
• NAD(P)H: quinone oxidoreductase 1 (NQO1) C609T polymorphism is associated with esophageal squamous cell carcinoma in a German Caucasian and a northern Chinese population (PMID:12771035)
• CYP2E1 and NQO1 genotypes may play an important role in development of smoking related bladder cancer among Korean men (PMID:12777965)
• “…NQO1 expression is up-regulated by B[a]P treatment.” P. 1040 (PMID:12867492)
• These results provide the first evidence of a proximal repressor region exerting a negative role on the regulation of the hNQO1 promoter in small cell lung carcinoma. (PMID:14592434)
• NQO1 has an important role in stabilizing hot-spot p53 mutant proteins in cancer (PMID:14634213)
• This experiment conclude that NQO1 activity co-localizes closely with AD pathology supporting a presumed role as an antioxidant system upregulated in response to the oxidative stress of the AD process. (PMID:14675732)
• The subjects carrying NQO1c. 609 T/T genotype and together with the habit of smoking or drinking may be more susceptible to benzene poisoning. (PMID:14694720)
• NO signals the transcriptional up-regulation of NQO1 and other detoxifying enzyme and protective genes through Nrf2 via the ARE to counteract NO-induced apoptosis of neuroblastoma cells (PMID:14985350)
• NQO1 gene polymorphism may confer susceptibility to the development of tardive dyskinesia in schizophrenia (PMID:15151706)
• In smokers the variant NQO1 genotype may confer an increased risk for squamous cell carcinoma. (PMID:15184245)
• The association between oral contraceptives use and breast cancer risk is dependent on NQO1 genotype, age and menopausal status. (PMID:15298951)
• While overt NQO1 immunoreactivity was absent in the surrounding nervous tissue, in the Parkinsonian SNpc a marked increase in the astroglial and neuronal expression of NQO1 was consistently observed. (PMID:15312971)
• NQO1 may have a role in familial acute myeloid leukemia (PMID:15334552)
• Nrf3 is a negative regulator of ARE-mediated gene expression of NQO1 (PMID:15385560)
• The observed risk reductions of lung cancer may be attributable to the greatly reduced procarcinogen activating of NAD(P)H:quinone oxidoreductase 1 in individuals with at least one copy of the T allele. (PMID:15498787)
• There may be a modulating role for NQO1 in the pathogenesis of pediatric sporadic Burkitt’s lymphoma. (PMID:15590400)
• Possible role for NQO1 gene as an MLL-independent risk factor, in the leukemogenic process of this subtype of infant acute lymphoblastic leukemia. (PMID:15618957)
• The joint carriage of CYP1A1 Val(462) and NQO1 Ser(187) alleles, particularly in smokers, was related to colorectal adenoma risk, with a propensity for formation of multiple lesions (PMID:15731166)
• Bach1 competes with Nrf2 leading to negative regulation of the antioxidant response element (ARE)-mediated NAD(P)H:quinone oxidoreductase 1 gene expression and induction in response to antioxidants (PMID:15734732)
• The genetic polymorphisms of NQO1, GSTT1 and GSTM1 led to declining of detoxifying ability in benzene metabolism, so the individual with NQO1 C609T T/T genotype, GSTT1 null genotype and GSTM1 null genotype is most susceptive to benzene poisoning. (PMID:15748501)
• NQO1 has a role in regulating ubiquitin-independent degradation of ornithine decarboxylase by the 20S proteasome (PMID:15749015)
• NQO1 transcription might be inappropriately suppressed by promoter hypermethylation in a subset of hepatocellular carcinoma, as well as GSTP1 gene (PMID:15763338)
• Immunohistochemistry of resected pancreatic specimens demonstrated an increased immunoreactivity for NQO1 in pancreatic cancer (PMID:16003741)
• Low/null activity polymorphisms of this enzyme is not with the risk of developing aplastic anemia in Caucasian patients. (PMID:16079101)
• The increased expression in noncancer pancreatic tissue from smokers suggests that NQO1 expression may be a good candidate as a biomarker for pancreatic cancer, especially in risk groups such as smokers. (PMID:16532285)

Cross-species orthologs

3 orthologs

Organism	Symbol	Gene ID
danio_rerio	nqo1	ENSDARG00000010250
mus_musculus	Nqo1	ENSMUSG00000003849
rattus_norvegicus	Nqo1	ENSRNOG00000012772

Paralogs (1): NQO2 (ENSG00000124588)

Protein

Protein identifiers

NAD(P)H dehydrogenase [quinone] 1 — P15559 (reviewed: P15559)

Alternative names: Azoreductase, DT-diaphorase, Menadione reductase, NAD(P)H:quinone oxidoreductase 1, Phylloquinone reductase, Quinone reductase 1

All UniProt accessions (4): B4DLR8, P15559, H3BNV2, H3BRK3

UniProt curated annotations — full annotation on UniProt →

Function. Flavin-containing quinone reductase that catalyzes two-electron reduction of quinones to hydroquinones using either NADH or NADPH as electron donors. In a ping-pong kinetic mechanism, the electrons are sequentially transferred from NAD(P)H to flavin cofactor and then from reduced flavin to the quinone, bypassing the formation of semiquinone and reactive oxygen species. Regulates cellular redox state primarily through quinone detoxification. Reduces components of plasma membrane redox system such as coenzyme Q and vitamin quinones, producing antioxidant hydroquinone forms. In the process may function as superoxide scavenger to prevent hydroquinone oxidation and facilitate excretion. Alternatively, can activate quinones and their derivatives by generating redox reactive hydroquinones with DNA cross-linking antitumor potential. Acts as a gatekeeper of the core 20S proteasome known to degrade proteins with unstructured regions. Upon oxidative stress, interacts with tumor suppressors TP53 and TP73 in a NADH-dependent way and inhibits their ubiquitin-independent degradation by the 20S proteasome.

Subunit / interactions. Homodimer. Interacts with PDLIM4 isoform 2; this interaction stabilizes PDLIM4 isoform 2 in response to oxidative stress and protects it from ubiquitin-independent degradation by the core 20S proteasome. Interacts with TP73 (via SAM domain); this interaction is NADH-dependent, stabilizes TP73 in response to oxidative stress and protects it from ubiquitin-independent degradation by the 20S proteasome. Interacts with TP53; this interaction is NADH-dependent, stabilizes TP53 in response to oxidative stress and protects it from ubiquitin-independent degradation by the 20S proteasome.

Subcellular location. Cytoplasm. Cytosol.

Activity regulation. Inhibited by dicoumarol.

Induction. By dioxin. By oxidative stress.

Polymorphism. The Ser-187 polymorphism may be linked to susceptibility to forms of cancers.

Miscellaneous. Quinone reductase accepts electrons from both NADH and NADPH with equal efficiency.

Similarity. Belongs to the NAD(P)H dehydrogenase (quinone) family.

Isoforms (3)

UniProt ID	Names	Canonical?
P15559-1	1	yes
P15559-2	2
P15559-3	3

RefSeq proteins (4): NP_000894, NP_001020604, NP_001020605, NP_001273066 (=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR003680	Flavodoxin_fold	Domain
IPR029039	Flavoprotein-like_sf	Homologous_superfamily
IPR051545	NAD(P)H_dehydrogenase_qn	Family

Pfam: PF02525

Enzyme classification (BRENDA):

• EC 1.6.5.2 — NAD(P)H dehydrogenase (quinone) (BRENDA: 40 organisms, 287 substrates, 304 inhibitors, 153 Km, 103 kcat entries)

Substrate kinetics (BRENDA)

53 substrates with measured Km, best-characterized 15. Km ranges are aggregated across organisms/conditions.

Substrate	Km (mM)	Measurements
NADH	0.005–125	55
NADPH	0.03–0.403	25
MENADIONE	0.0002–0.23	19
BENZOQUINONE	0.11–36.3	5
5-(1-AZIRIDINYL)-3-(HYDROXYMETHYL)-2-(3-HYDROXY-	0.025–0.04	3
5-(AZIRIDIN-1-YL)-4-HYDROXYLAMINO-2-BENZAMIDE	0.84–1.37	3
VITAMIN K1	0.0641–0.33	3
1,4-BENZOQUINONE	0.0058–0.037	2
5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	0.26–1.37	2
DUROQUINONE	0.21–0.435	2
FAD	—	2
FMN	0.0025–0.0096	2
METHYL RED	0.0047–0.028	2
NAPHTHOQUINONE	0.0004–0.0006	2
OXIDIZED 2,6-DICHLOROINDOPHENOL	0.007–0.018	2

Catalyzed reactions (Rhea), 4 shown:

• a quinone + NADH + H(+) = a quinol + NAD(+) (RHEA:46160)
• a quinone + NADPH + H(+) = a quinol + NADP(+) (RHEA:46164)
• ubiquinone-10 + NADH + H(+) = ubiquinol-10 + NAD(+) (RHEA:61984)
• menadione + NADH + H(+) = menadiol + NAD(+) (RHEA:69695)

UniProt features (54 total): helix 16, strand 10, binding site 8, turn 6, sequence variant 3, mutagenesis site 3, cross-link 2, splice variant 2, chain 1, region of interest 1, modified residue 1, sequence conflict 1

Structure

Experimental structures (PDB)

28 structures.

PDB	Method	Resolution (Å)
8OK0	X-RAY DIFFRACTION	1.6
1D4A	X-RAY DIFFRACTION	1.7
1KBQ	X-RAY DIFFRACTION	1.8
1H69	X-RAY DIFFRACTION	1.86
1H66	X-RAY DIFFRACTION	2
5EA2	X-RAY DIFFRACTION	2.01
5FUQ	X-RAY DIFFRACTION	2.04
5A4K	X-RAY DIFFRACTION	2.09
4CET	X-RAY DIFFRACTION	2.2
1KBO	X-RAY DIFFRACTION	2.3
1QBG	X-RAY DIFFRACTION	2.3
3JSX	X-RAY DIFFRACTION	2.45
1DXO	X-RAY DIFFRACTION	2.5
1GG5	X-RAY DIFFRACTION	2.5
8RFN	X-RAY DIFFRACTION	2.5
9EZQ	X-RAY DIFFRACTION	2.5
9EZS	X-RAY DIFFRACTION	2.5
9EZT	X-RAY DIFFRACTION	2.5
6LLC	X-RAY DIFFRACTION	2.5
9EZR	X-RAY DIFFRACTION	2.51
9ID0	X-RAY DIFFRACTION	2.51
4CF6	X-RAY DIFFRACTION	2.69
8C9J	X-RAY DIFFRACTION	2.7
8RFM	X-RAY DIFFRACTION	2.7
2F1O	X-RAY DIFFRACTION	2.75
6FY4	X-RAY DIFFRACTION	2.76
5EAI	X-RAY DIFFRACTION	2.9
8PQN	X-RAY DIFFRACTION	3.8

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P15559-F1	98.37	0.99

Functional residue map

Curated UniProt residues grouped by drug-discovery relevance — catalytic, ligand-binding, modification, and mutation-validated positions. Source: UniProtKB sequence features.

Ligand- & substrate-binding residues (8): 12; 18–19; 67; 104–107; 126–128; 148–151; 156; 201

Post-translational modifications (3): 82, 250, 251

Mutagenesis-validated functional residues (3):

Position	Phenotype
105	decreases the catalytic efficiency toward menadione. increases the affinity toward nadh. increases the catalytic afficie
129	abolishes the interaction with tp73.
204	has no effect on the affinity toward nadh; when associated with y-105.

Function

Pathways and Gene Ontology

Reactome pathways

3 pathways

ID	Pathway
R-HSA-350562	Regulation of ornithine decarboxylase (ODC)
R-HSA-9818027	NFE2L2 regulating anti-oxidant/detoxification enzymes
R-HSA-9943962	CHD6, CHD7, CHD8, CHD9 subfamily

MSigDB gene sets: 363 (showing top): MODULE_93, MODULE_52, MODULE_92, KANG_DOXORUBICIN_RESISTANCE_UP, MODULE_274, chr16q22, RODRIGUES_THYROID_CARCINOMA_POORLY_DIFFERENTIATED_UP, KANG_FLUOROURACIL_RESISTANCE_UP, CHUANG_OXIDATIVE_STRESS_RESPONSE_UP, GOBP_SYNAPTIC_TRANSMISSION_CHOLINERGIC, GOBP_MACROMOLECULE_CATABOLIC_PROCESS, GOBP_SUPEROXIDE_METABOLIC_PROCESS, ADDYA_ERYTHROID_DIFFERENTIATION_BY_HEMIN, GOBP_CELLULAR_RESPONSE_TO_OXYGEN_CONTAINING_COMPOUND, GOBP_KETONE_METABOLIC_PROCESS

GO Biological Process (18): protein polyubiquitination (GO:0000209), ubiquinone metabolic process (GO:0006743), xenobiotic metabolic process (GO:0006805), nitric oxide biosynthetic process (GO:0006809), response to oxidative stress (GO:0006979), synaptic transmission, cholinergic (GO:0007271), response to toxic substance (GO:0009636), removal of superoxide radicals (GO:0019430), protein catabolic process (GO:0030163), response to lipopolysaccharide (GO:0032496), cellular response to oxidative stress (GO:0034599), negative regulation of protein catabolic process (GO:0042177), vitamin E metabolic process (GO:0042360), vitamin K metabolic process (GO:0042373), innate immune response (GO:0045087), cell redox homeostasis (GO:0045454), response to caloric restriction (GO:0061771), negative regulation of ferroptosis (GO:0110076)

GO Molecular Function (8): RNA binding (GO:0003723), NAD(P)H dehydrogenase (quinone) activity (GO:0003955), cytochrome-b5 reductase activity, acting on NAD(P)H (GO:0004128), NADPH dehydrogenase (quinone) activity (GO:0008753), identical protein binding (GO:0042802), NADH dehydrogenase (quinone) (non-electrogenic) activity (GO:0050136), protein binding (GO:0005515), oxidoreductase activity (GO:0016491)

GO Cellular Component (4): nucleus (GO:0005634), cytoplasm (GO:0005737), cytosol (GO:0005829), synapse (GO:0045202)

Reactome top-level categories

Rollup of top-3 pathways:

Category	Pathways
Metabolism of polyamines	1
Nuclear events mediated by NFE2L2	1
CHD chromatin remodelers	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
metabolic process	2
response to stress	2
NAD(P)H dehydrogenase (quinone) activity	2
cellular anatomical structure	2
protein ubiquitination	1
quinone metabolic process	1
cellular response to xenobiotic stimulus	1
biosynthetic process	1
nitric oxide metabolic process	1
chemical synaptic transmission	1
response to chemical	1
superoxide metabolic process	1
cellular response to superoxide	1
cellular oxidant detoxification	1
macromolecule catabolic process	1
protein metabolic process	1
response to molecule of bacterial origin	1
response to lipid	1
response to oxygen-containing compound	1
response to oxidative stress	1
cellular response to chemical stress	1
negative regulation of catabolic process	1
protein catabolic process	1
regulation of protein catabolic process	1
negative regulation of protein metabolic process	1
ketone metabolic process	1
immune response	1
defense response to symbiont	1
cellular homeostasis	1
response to nutrient levels	1
negative regulation of programmed cell death	1
ferroptosis	1
regulation of ferroptosis	1
nucleic acid binding	1
oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor	1
oxidoreductase activity, acting on NAD(P)H, heme protein as acceptor	1
NADPH dehydrogenase activity	1
protein binding	1
NADH dehydrogenase activity	1
binding	1

Protein interactions and networks

STRING

2382 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
NQO1	KEAP1	Q14145	954
NQO1	GCLM	P48507	941
NQO1	NFE2L2	Q16236	941
NQO1	HMOX1	P09601	915
NQO1	CRYZ	Q08257	910
NQO1	GCLC	P48506	903
NQO1	GSR	P00390	820
NQO1	TP53	P04637	806
NQO1	TXN	P10599	803
NQO1	HIF1A	Q16665	794
NQO1	CYP1B1	Q16678	794
NQO1	GPX2	P18283	782
NQO1	SRXN1	Q9BYN0	768
NQO1	EPHX1	P07099	767
NQO1	TXNRD1	Q16881	762

IntAct

39 interactions, top by confidence:

A	B	Type	Score
NDUFS7	NDUFS8	psi-mi:“MI:0914”(association)	0.640
NQO1	NQO1	psi-mi:“MI:0407”(direct interaction)	0.620
GALT	NQO1	psi-mi:“MI:0915”(physical association)	0.560
NQO1	ING1	psi-mi:“MI:0407”(direct interaction)	0.540
NQO1	ING1	psi-mi:“MI:0915”(physical association)	0.540
GRB2	ARHGEF35	psi-mi:“MI:0914”(association)	0.530
	TK2	psi-mi:“MI:0915”(physical association)	0.400
NQO1	ING1	psi-mi:“MI:0915”(physical association)	0.400
SH2D3C	ANXA2P2	psi-mi:“MI:0914”(association)	0.350
CAV1	ACOT7	psi-mi:“MI:0914”(association)	0.350
PA	DDX39A	psi-mi:“MI:0914”(association)	0.350
BMI1	HMGB1P1	psi-mi:“MI:0914”(association)	0.350
	PSMD3	psi-mi:“MI:0914”(association)	0.350
KEAP1	ASNS	psi-mi:“MI:0914”(association)	0.350
MAPT	SHTN1	psi-mi:“MI:0914”(association)	0.350
INPPL1	ACTN4	psi-mi:“MI:0914”(association)	0.350
PIK3C2A	ACTN4	psi-mi:“MI:0914”(association)	0.350
MID1	TLDC2	psi-mi:“MI:0914”(association)	0.350
MKRN1	GAPDHS	psi-mi:“MI:0914”(association)	0.350
TEK	NQO1	psi-mi:“MI:0914”(association)	0.350
VCAM1		psi-mi:“MI:0914”(association)	0.350
STAT3	NACA	psi-mi:“MI:0914”(association)	0.350

BioGRID (145): NQO1 (Affinity Capture-Western), NQO1 (Co-fractionation), NQO1 (Co-localization), NQO1 (Affinity Capture-RNA), NQO1 (Affinity Capture-RNA), NME1 (Co-fractionation), NQO1 (Co-fractionation), NQO1 (Co-fractionation), NQO1 (Co-fractionation), NQO1 (Co-fractionation), NQO1 (Affinity Capture-MS), TP53 (Affinity Capture-Western), NQO1 (Affinity Capture-Western), NQO1 (Affinity Capture-RNA), NQO1 (Biochemical Activity)

ESM2 similar proteins: A2VCW9, A2Y3Q5, A4IG42, A5GAC6, A8E657, B5EGQ4, O57478, O64765, P05982, P08509, P11413, P11605, P15559, P16083, P17570, P22315, P22830, P34913, P36859, P37830, P39865, P39866, P39868, P52788, P54233, P97355, Q13057, Q14032, Q1L8D2, Q29492, Q3SZA5, Q3YA36, Q5RBB9, Q5RD31, Q64669, Q64FW2, Q6AY80, Q6DHQ3, Q6ING7, Q6JQN1

Diamond homologs: A0A481WNM5, A1A795, A1JS77, A4W6F2, A8FA13, B1M4X4, B7LVT7, B7MAG9, P05982, P0AEY5, P0AEY6, P0AEY7, P15559, P16083, Q1RGF2, Q28QS5, Q5RBB9, Q5RD31, Q64669, Q6AY80, Q88EC8, Q8CHK7, Q92DN4, Q9JI75, A1AGN7, A4WFE5, A5EF62, A7ME22, A7Z8S7, A7ZHD9, A7ZSM7, A7ZVZ8, A8A5F9, A8ALQ5, A8AQP1, A9MQG7, B1IPB3, B1IRD0, B1LFY0, B1X6K1

SIGNOR signaling

10 interactions.

A	Effect	B	Mechanism
vadimezan	down-regulates	NQO1	“chemical inhibition”
NQO1	up-regulates	Proliferation
NFE2L2	“up-regulates quantity by expression”	NQO1	“transcriptional regulation”
NFE2L1	“up-regulates quantity by expression”	NQO1	“transcriptional regulation”
AKT1	“down-regulates quantity by destabilization”	NQO1	phosphorylation
NFE2L3	“down-regulates quantity by repression”	NQO1	“transcriptional regulation”

Enriched among interaction partners

Reactome pathways and GO biological processes over-represented among this gene’s 38 IntAct physical interaction partners (hypergeometric vs the genome-wide background, BH-FDR, gene-set size 15–500, ranked by fold). A functional readout of the neighbourhood — distinct from this gene’s own memberships above, and biased toward well-studied / hub proteins, so read it as themes rather than proof.

Reactome pathways:

Pathway	Partners	Fold	FDR
PIP3 activates AKT signaling	6	12.5×	2e-03
Signaling by Receptor Tyrosine Kinases	5	8.1×	7e-03
Cellular responses to stimuli	6	5.9×	7e-03

GO biological processes:

GO term	Partners	Fold	FDR
epidermal growth factor receptor signaling pathway	6	43.7×	3e-06
phosphatidylinositol 3-kinase/protein kinase B signal transduction	6	37.2×	4e-06
positive regulation of cell migration	6	10.9×	2e-03

Disease & clinical

Cancer significance

Clinical variants and AI predictions

ClinVar

278 variants total. Per-class counts are floors (≥ shown; pagination cap):

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	2
Uncertain significance	132
Likely benign	134
Benign	1

Top pathogenic / likely-pathogenic (2)

Variant ID	HGVS	Classification
493189	NM_000903.3(NQO1):c.547C>T (p.Gln183Ter)	Likely pathogenic
988341	NM_000903.3(NQO1):c.535T>A (p.Phe179Ile)	Likely pathogenic

SpliceAI

627 predictions. Top by Δscore:

Variant	Effect	Δscore
16:69713128:CT:C	acceptor_gain	1.0000
16:69713130:C:CC	acceptor_gain	1.0000
16:69718119:ATAC:A	donor_loss	1.0000
16:69718120:TA:T	donor_loss	1.0000
16:69718130:A:AC	donor_gain	1.0000
16:69718249:TTTAC:T	acceptor_gain	1.0000
16:69718250:TTAC:T	acceptor_gain	1.0000
16:69718251:TAC:T	acceptor_gain	1.0000
16:69718252:AC:A	acceptor_gain	1.0000
16:69718253:CC:C	acceptor_gain	1.0000
16:69718254:C:CC	acceptor_gain	1.0000
16:69718257:C:CT	acceptor_gain	1.0000
16:69718366:CTACC:C	donor_loss	1.0000
16:69718367:TACC:T	donor_loss	1.0000
16:69718368:A:AC	donor_gain	1.0000
16:69718368:ACCT:A	donor_loss	1.0000
16:69718369:C:CC	donor_gain	1.0000
16:69718531:CTGC:C	acceptor_gain	1.0000
16:69718532:TGC:T	acceptor_gain	1.0000
16:69718535:C:CA	acceptor_loss	1.0000
16:69718535:C:CC	acceptor_gain	1.0000
16:69718544:C:CT	acceptor_gain	1.0000
16:69711278:CACT:C	acceptor_gain	0.9900
16:69711280:CT:C	acceptor_gain	0.9900
16:69713023:GGTA:G	donor_loss	0.9900
16:69713024:GTA:G	donor_loss	0.9900
16:69713025:TA:T	donor_loss	0.9900
16:69713026:A:C	donor_loss	0.9900
16:69713027:C:CG	donor_loss	0.9900
16:69713125:TTACT:T	acceptor_gain	0.9900

AlphaMissense

1809 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
16:69715025:C:G	R119P	0.987
16:69718130:A:T	I99K	0.987
16:69711179:A:G	W208R	0.984
16:69711179:A:T	W208R	0.984
16:69715035:A:G	W116R	0.984
16:69715035:A:T	W116R	0.984
16:69718130:A:C	I99R	0.976
16:69715065:A:G	W106R	0.974
16:69715065:A:T	W106R	0.974
16:69718401:G:C	F47L	0.972
16:69718401:G:T	F47L	0.972
16:69718403:A:G	F47L	0.972
16:69718136:A:G	L97P	0.971
16:69718485:G:C	N19K	0.969
16:69718485:G:T	N19K	0.969
16:69711259:C:A	G181V	0.968
16:69711114:A:C	F229L	0.967
16:69711114:A:T	F229L	0.967
16:69711116:A:G	F229L	0.967
16:69711169:C:G	R211P	0.966
16:69718466:C:G	A26P	0.965
16:69711259:C:T	G181D	0.962
16:69715075:G:C	F102L	0.961
16:69715075:G:T	F102L	0.961
16:69715077:A:G	F102L	0.961
16:69711264:G:C	F179L	0.958
16:69711264:G:T	F179L	0.958
16:69711266:A:G	F179L	0.958
16:69711090:G:C	F237L	0.954
16:69711090:G:T	F237L	0.954

dbSNP variants (sampled 300 via entrez): RS1000175037 (16:69719302 T>C), RS1000340955 (16:69717718 TTC>T), RS1000387241 (16:69714121 C>T), RS1000779197 (16:69711450 C>G,T), RS1000972534 (16:69728121 G>A), RS1001077332 (16:69724507 T>A), RS1001088637 (16:69727762 G>A), RS1001197910 (16:69726283 C>T), RS1001345567 (16:69719765 C>G,T), RS1001404155 (16:69724290 G>A), RS1001548629 (16:69714465 C>T), RS1001576254 (16:69722798 A>G), RS1001643332 (16:69714231 G>A), RS1001775587 (16:69720024 G>A), RS1001794026 (16:69723023 G>A)

Disease associations

OMIM: gene MIM:125860 | disease phenotypes: MIM:613659

GenCC curated gene-disease

Mondo (1): gastric cancer (MONDO:0001056)

Orphanet (0):

HPO phenotypes

0 total (0 of 0 shown, HPO-id order):

GWAS associations

15 associations (top):

Study	Trait	p-value
GCST004267_1	Blood osmolality (transformed sodium)	6.000000e-12
GCST004267_7	Blood osmolality (transformed sodium)	6.000000e-10
GCST005951_13	Body mass index	5.000000e-11
GCST006585_587	Blood protein levels	7.000000e-21
GCST007293_28	Body fat distribution (arm fat ratio)	3.000000e-12
GCST007293_6	Body fat distribution (arm fat ratio)	5.000000e-06
GCST007293_62	Body fat distribution (arm fat ratio)	2.000000e-17
GCST007295_15	Body fat distribution (leg fat ratio)	3.000000e-06
GCST007295_99	Body fat distribution (leg fat ratio)	5.000000e-06
GCST007323_75	Risk-taking tendency (4-domain principal component model)	7.000000e-11
GCST007876_123	Estimated glomerular filtration rate	1.000000e-08
GCST007931_62	Medication use (HMG CoA reductase inhibitors)	9.000000e-09
GCST008811_20	Alcohol consumption (drinks per week)	2.000000e-08
GCST010244_263	Triglyceride levels	3.000000e-20
GCST90002395_222	Mean platelet volume	8.000000e-11

EFO canonical traits (5, from GWAS)

EFO ID	Trait name
EFO:0004340	body mass index
EFO:0004341	body fat distribution
EFO:0008579	risk-taking behaviour
EFO:0009932	HMG CoA reductase inhibitor use measurement
EFO:0004530	triglyceride measurement

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (1): CHEMBL3623 (SINGLE PROTEIN)

Molecules with ChEMBL bioactivity

4 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 13,004 (via chembl_molecule»patent_compound — counts attach to the compound, not the gene–compound relationship, so off-target/promiscuous molecules can dominate).

Molecule	Name	Phase	Patents
CHEMBL1466	DICUMAROL	4	12,198
CHEMBL25336	BISANTRENE	3	85
CHEMBL118841	PYRAZOLOACRIDINE	2	132
CHEMBL15192	LAPACHONE	2	589

Clinical evidence (CIViC)

Drug × variant × indication: 3 predictive associations from 3 curated evidence items.

Variant	Therapy	Indication	Effect	Level	CIViC
NQO1 Overexpression	NSC84167	Pancreatic Ductal Adenocarcinoma	Sensitivity/Response	CIViC D	EID12560
NQO1 P187S	Amrubicin	Lung Cancer	Sensitivity/Response	CIViC D	EID941
NQO1 EXPRESSION	Amrubicin	Lung Cancer	Resistance	CIViC D	EID940

PharmGKB: 1 entry (VIP=true, CPIC=false)

PharmGKB clinical annotations

9 annotations.

Variant	Type	Level	Drugs	Phenotypes
rs10517	Dosage	3	warfarin
rs10517	Efficacy	3	imatinib	Gastrointestinal Stromal Tumors
rs1800566	Dosage	3	warfarin
rs1800566	Efficacy	3	Platinum compounds	Neoplasms
rs1800566	Efficacy	3	epirubicin;fluorouracil;oxaliplatin	Metastatic neoplasm;Stomach Neoplasms
rs1800566	Efficacy	3	cyclophosphamide;epirubicin;fluorouracil	Breast Neoplasms
rs1800566	Toxicity	3	warfarin	Hemorrhage
rs1800566	Efficacy	3	warfarin	Thrombotic disease
rs1800566	Dosage	4	warfarin

PharmGKB variants

5 variants.

Variant	Genes	Level	Score	#Clin annots	Drugs
rs10517	NQO1	3	5.25	2	imatinib;warfarin
rs1131341	NQO1		0.00	0
rs1800566	NQO1	3	3.50	7	epirubicin;fluorouracil;oxaliplatin;cyclophosphamide;epirubicin;fluorouracil;warfarin;Platinum compounds
rs2917670	NQO1		0.00	0
rs2917677	NQO1		0.00	0

Binding affinities (BindingDB)

171 measured of 205 human assays (205 total across all organisms); most potent 50 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value	Patent
symmetric dicoumarol analogue, 12	IC50	0.18 nM
symmetric dicoumarol analogue, 10	IC50	0.41 nM
symmetric dicoumarol analogue, 13	IC50	0.42 nM
4-hydroxy-2H-chromen-2-one core, 20	IC50	2.2 nM
3,3’’’’-methylenebis(4-hydroxy-coumarin	IC50	2.6 nM
symmetric dicoumarol analogue, 3	IC50	2.8 nM
symmetric dicoumarol analogue, 9	IC50	4.9 nM
3-(3-(8-Cyano-2,2-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,4-f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-3-(7-methoxy-1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-((R)-2-ethyl-2,3-dihydropyrido[3,4-f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(3-(7-Chloro-2,2-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(3-(2,3-Dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-2,2-dimethylpropanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-{2-oxo-1-[(4-propylcyclohexyl)methyl]-1H,2H,3H,3aH,4H,8bH-indeno[1,2-b]pyrrol-7-yl}propanoic Acid	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-dimethylbenzotriazol-5-yl)-3-[3-(2,2,7-trimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-yl]propanoic acid	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(3-((R)-2,7-Dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-3-(7-methoxy-1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)propanoic Acid	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-(2,2-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-(8-fluoro-2,2-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)propanoic Acid	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-2,2-dimethyl-3-(3-((R)-2-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(3-(2,2-Dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic Acid, Formate Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-3-(7-methoxy-1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-((R)-2-ethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-((R)-2,7-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-2,2-dimethyl-3-(3-((R)-2-methyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)propanoic Acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-(2,2-dimethyl-2,3-dihydropyrido[3,4-f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanoic Acid, Trifluoroacetic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(3-(2,2-dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanoic acid, Formic Acid Salt	EC50	5.5 nM	US-10272095: NRF2 regulators
rac-(R)-3-(1,4-Dimethyl- 1H-benzo[d][1,2,3]triazol- 5-yl)-3-(rac-(S)-3-(2,2- dimethyl-2,3- dihydropyrido[4,3- f][1,4]oxazepin-4(5H)-yl)- 2,3-dihydro-1H-inden-5- yl)-2,2- dimethylpropanoic acid, Trifluoroacetic acid salt	EC50	5.5 nM	US-10272095: NRF2 regulators
rel-(S)-3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(rel-(R)-3-((R)-2-ethyl-2,3-dihydropyrido[3,4-f][1,4]oxazepin-4(5H)-yl)-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanoic acid	EC50	5.5 nM	US-10272095: NRF2 regulators
(3S)-3-(1,4-dimethylbenzotriazol-5-yl)-3-[(3S)-3-[(2R)-2-ethyl-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl]-2,3-dihydro-1H-inden-5-yl]-2,2-dimethylpropanoic acid	EC50	5.5 nM	US-10272095: NRF2 regulators
rel-(R)-3-(1,4-Dimethyl-1H- benzo[d][1,2,3]triazol-5-yl)- 3-(rel-(R)-3-((R)-2-ethyl-2,3- dihydropyrido[3,4- f][1,4]oxazepin-4(5H)-yl)- 2,3-dihydro-1H-inden-5-yl)- 2,2-dimethylpropanoic acid	EC50	5.5 nM	US-10272095: NRF2 regulators
rel-(S)-3-(1,4-Dimethyl- 1H-benzo[d][1,2,3]triazol- 5-yl)-3-(rel-(S)-3-(2,2- dimethyl-2,3- dihydrobenzo[f][1,4] oxazepin-4(5H)-yl)-2,3- dihydro-1H-inden-5-yl)- 2,2-dimethylpropanoic acid	EC50	5.5 nM	US-10272095: NRF2 regulators
rel-(R)-3-(1,4-Dimethyl- 1H-benzo[d][1,2,3]triazol- 5-yl)-3-(rel-(R)-3(2,2- dimethyl-2,3- dihydrobenzo[f][1,4] oxazepin-4(5H)-yl)-2,3- dihydro-1H-inden-5-yl)- 2,2-dimethylpropanoic acid	EC50	5.5 nM	US-10272095: NRF2 regulators
symmetric dicoumarol analogue, 5	IC50	6 nM
4-hydroxy-2H-chromen-2-one core, 22	IC50	6.3 nM
symmetric dicoumarol analogue, 4	IC50	11 nM
symmetric dicoumarol analogue, 2	IC50	14 nM
4-hydroxy-2H-chromen-2-one core, 26	IC50	14 nM
4-hydroxy-2H-chromen-2-one core, 24	IC50	15 nM
(3S)-3-(1,4-dimethylbenzotriazol-5-yl)-3-[7-[[(2R)-2-ethyl-7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-1-benzothiophen-5-yl]propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3S)-3-(1,4-dimethylbenzotriazol-5-yl)-3-[7-[(7-oxospiro[5,6-dihydro-3H-pyrido[2,3-f][1,4]oxazepine-2,1’-cyclopropane]-4-yl)methyl]-1-benzothiophen-5-yl]propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3R)-3-(1,4-dimethylbenzotriazol-5-yl)-3-[7-[(7-oxospiro[5,6-dihydro-3H-pyrido[2,3-f][1,4]oxazepine-2,1’-cyclopropane]-4-yl)methyl]-1-benzothiophen-5-yl]propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3R)-3-[7-[[(2R)-2-cyclopropyl-7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-1-benzothiophen-5-yl]-3-(1,4-dimethylbenzotriazol-5-yl)propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3S)-3-[7-[[(2R)-2-cyclopropyl-7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-1-benzothiophen-5-yl]-3-(1,4-dimethylbenzotriazol-5-yl)propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3R)-3-[7-[[(2R)-2-cyclopropyl-7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-1-benzothiophen-5-yl]-3-(3,7-dimethyltriazolo[4,5-b]pyridin-6-yl)propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3S)-3-(1,4-dimethylbenzotriazol-5-yl)-2,2-dimethyl-3-[7-[(7-oxospiro[5,6-dihydro-3H-pyrido[2,3-f][1,4]oxazepine-2,1’-cyclopropane]-4-yl)methyl]-1-benzothiophen-5-yl]propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3S)-3-(1,4-dimethyl-2,3-dihydrobenzotriazol-5-yl)-3-[7-[[(2R)-2-methyl-7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-1-benzothiophen-5-yl]propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3S)-3-[7-[[(2R)-2-ethyl-7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-1-benzothiophen-5-yl]-3-[1-(2-hydroxy-2-methylpropyl)-4-methyl-2,3-dihydrobenzotriazol-5-yl]propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3R)-3-[7-[(2-ethyl-7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-4-yl)methyl]-1-benzothiophen-5-yl]-3-(7-methoxy-1,4-dimethylbenzotriazol-5-yl)propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND
(3S)-3-(3,7-dimethyltriazolo[4,5-b]pyridin-6-yl)-3-[7-[[(6S)-6-ethyl-2-oxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-c]azepin-8-yl]methyl]-1-benzothiophen-5-yl]propanoic acid	IC50	20 nM	US-20250296939: BENZOTHIOPHENE COMPOUND

ChEMBL bioactivities

242 potent at pChembl≥5 of 288 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
9.74	IC50	0.18	nM	CHEMBL570570
9.39	IC50	0.41	nM	CHEMBL571058
9.38	IC50	0.42	nM	CHEMBL569640
8.66	IC50	2.2	nM	CHEMBL569641
8.60	IC50	2.5	nM	CHEMBL570349
8.59	IC50	2.6	nM	DICUMAROL
8.55	IC50	2.8	nM	CHEMBL571496
8.42	IC50	3.8	nM	CHEMBL576293
8.35	IC50	4.5	nM	CHEMBL569406
8.31	IC50	4.9	nM	CHEMBL568720
8.30	IC50	5	nM	DICUMAROL
8.30	IC50	5	nM	CHEMBL312727
8.26	EC50	5.5	nM	CHEMBL6013616
8.26	EC50	5.5	nM	CHEMBL5955902
8.26	EC50	5.5	nM	CHEMBL5976551
8.26	EC50	5.5	nM	CHEMBL6044829
8.26	EC50	5.5	nM	CHEMBL5894959
8.26	EC50	5.5	nM	CHEMBL5919883
8.26	EC50	5.5	nM	CHEMBL5981607
8.26	EC50	5.5	nM	CHEMBL5782751
8.26	EC50	5.5	nM	CHEMBL6065265
8.26	EC50	5.5	nM	CHEMBL6035700
8.26	EC50	5.5	nM	CHEMBL5756866
8.26	EC50	5.5	nM	CHEMBL5851928
8.26	EC50	5.5	nM	CHEMBL5935840
8.26	EC50	5.5	nM	CHEMBL5979247
8.26	EC50	5.5	nM	CHEMBL6014755
8.26	EC50	5.5	nM	CHEMBL5918648
8.26	EC50	5.5	nM	CHEMBL5759215
8.26	EC50	5.5	nM	CHEMBL5814301
8.26	EC50	5.5	nM	CHEMBL5954286
8.26	EC50	5.5	nM	CHEMBL5917150
8.26	EC50	5.5	nM	CHEMBL5909168
8.26	EC50	5.5	nM	CHEMBL5898492
8.26	EC50	5.5	nM	CHEMBL5954997
8.26	EC50	5.5	nM	CHEMBL6005227
8.26	EC50	5.5	nM	CHEMBL5773676
8.26	EC50	5.5	nM	CHEMBL5935541
8.22	IC50	6	nM	CHEMBL569627
8.22	IC50	6	nM	CHEMBL576259
8.20	IC50	6.3	nM	CHEMBL571059
8.20	IC50	6.3	nM	CHEMBL568962
8.11	IC50	7.7	nM	CHEMBL569169
8.05	IC50	9	nM	CHEMBL572166
8.00	IC50	9.9	nM	CHEMBL571272
7.96	IC50	11	nM	CHEMBL583323
7.85	IC50	14	nM	CHEMBL569415
7.85	IC50	14	nM	CHEMBL571283
7.82	IC50	15	nM	CHEMBL573922
7.62	IC50	24	nM	CHEMBL582933

PubChem BioAssay actives

218 with measured affinity, of 1806 total; 50 most potent distinct compounds. Largely complementary to BindingDB; screening values are coarse (µM, 4 dp), so sub-nM hits tie at the floor.

Compound	Assay	Type	Value	Unit
4-hydroxy-3-[(4-hydroxy-2-oxobenzo[h]chromen-3-yl)methyl]benzo[h]chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0002	uM
4-hydroxy-3-[(4-hydroxy-2-oxo-7,8,9,10-tetrahydrobenzo[h]chromen-3-yl)methyl]-7,8,9,10-tetrahydrobenzo[h]chromen-2-one	441648: Inhibition of human recombinant NQO1	ic50	0.0002	uM
4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0004	uM
4-hydroxy-3-[(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)methyl]-7,8-dimethylchromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0004	uM
4-hydroxy-3-(naphthalen-2-ylmethyl)-7,8,9,10-tetrahydrobenzo[h]chromen-2-one	441648: Inhibition of human recombinant NQO1	ic50	0.0022	uM
4-hydroxy-3-(naphthalen-2-ylmethyl)benzo[h]chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0022	uM
4-hydroxy-6,7-dimethyl-3-(naphthalen-2-ylmethyl)chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0025	uM
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0026	uM
4-hydroxy-3-[(4-hydroxy-5-methoxy-2-oxochromen-3-yl)methyl]-5-methoxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0028	uM
7-fluoro-3-[(7-fluoro-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0038	uM
6-fluoro-3-[(6-fluoro-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0045	uM
6,8-dibromo-3-[(6,8-dibromo-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0049	uM
3-[(4,7-dihydroxy-2-oxochromen-3-yl)methyl]-4,7-dihydroxychromen-2-one	304251: Inhibition of human recombinant NQO1	ic50	0.0050	uM
4-hydroxy-3-[(4-hydroxy-7-methoxy-2-oxochromen-3-yl)methyl]-7-methoxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0060	uM
1-hydroxy-2-(naphthalen-2-ylmethyl)-7,8,9,10-tetrahydrobenzo[f]chromen-3-one	441648: Inhibition of human recombinant NQO1	ic50	0.0060	uM
1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0060	uM
4-hydroxy-3-(naphthalen-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[h]chromen-2-one	441648: Inhibition of human recombinant NQO1	ic50	0.0063	uM
1-hydroxy-2-(naphthalen-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[f]chromen-3-one	441648: Inhibition of human recombinant NQO1	ic50	0.0063	uM
4-hydroxy-3-(naphthalen-1-ylmethyl)benzo[h]chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0063	uM
1-hydroxy-2-(naphthalen-1-ylmethyl)benzo[f]chromen-3-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0063	uM
4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0077	uM
6-chloro-3-[(6-chloro-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0090	uM
3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-6,7-dimethylchromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0099	uM
4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxochromen-3-yl)methyl]-6-methoxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0110	uM
4-hydroxy-3-(naphthalen-2-ylmethyl)chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0140	uM
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)methyl]-6-methylchromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0140	uM
2-benzyl-1-hydroxybenzo[f]chromen-3-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0150	uM
2-benzyl-1-hydroxy-7,8,9,10-tetrahydrobenzo[f]chromen-3-one	441648: Inhibition of human recombinant NQO1	ic50	0.0150	uM
4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0240	uM
3-[(3,4-dimethylphenyl)methyl]-4-hydroxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0310	uM
3-benzyl-4-hydroxy-7,8,9,10-tetrahydrobenzo[h]chromen-2-one	441648: Inhibition of human recombinant NQO1	ic50	0.0350	uM
3-benzyl-4-hydroxybenzo[h]chromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0350	uM
3-benzyl-4-hydroxy-6,7-dimethylchromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0390	uM
4-hydroxy-3-[(4-hydroxy-6,7-dimethoxy-2-oxochromen-3-yl)methyl]-6,7-dimethoxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.0620	uM
10-(3-methylbutylamino)-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.0920	uM
N,N-dimethyl-2-[(8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]ethanamine oxide	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.0940	uM
3-[[4-(dimethylamino)phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one	304251: Inhibition of human recombinant NQO1	ic50	0.1000	uM
5-bromo-10-(3-methylbutylamino)-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.1070	uM
3-[[4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one	304251: Inhibition of human recombinant NQO1	ic50	0.1100	uM
10-[2-(dimethylamino)ethylamino]-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.1110	uM
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-naphthalen-2-ylmethyl]chromen-2-one	304251: Inhibition of human recombinant NQO1	ic50	0.1400	uM
3-benzyl-4-hydroxychromen-2-one	1799313: Inhibition of NQO1 (With 2 uM BSA) from Article 10.1021/jm9011609: “Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).”	ic50	0.1440	uM
5-bromo-10-(3-hydroxypropylamino)-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.1450	uM
3-[9H-fluoren-3-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one	304251: Inhibition of human recombinant NQO1	ic50	0.1500	uM
10-[2-(dimethylamino)ethylamino]-5-fluoro-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.1880	uM
7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one	304251: Inhibition of human recombinant NQO1	ic50	0.2000	uM
10-(3-hydroxypropylamino)-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.2030	uM
10-(3-hydroxypropylamino)-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one	459813: Inhibition of human recombinant NQO1 by spectrophotometry	ic50	0.2060	uM
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]chromen-2-one	304251: Inhibition of human recombinant NQO1	ic50	0.2200	uM
4-hydroxy-7-methoxy-3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]chromen-2-one	1419445: Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/v) BSA	ic50	0.2300	uM

CTD chemical–gene interactions

595 total (human), top 30 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
sodium arsenite	affects response to substance, decreases expression, affects binding, increases reaction, increases expression (+4 more)	47
sulforaphane	increases activity, decreases expression, affects cotreatment, increases expression, increases reaction (+1 more)	40
Tetrachlorodibenzodioxin	increases expression, decreases expression, increases reaction, affects expression, affects activity (+4 more)	26
Particulate Matter	increases activity, increases reaction, affects expression, decreases reaction, increases expression (+3 more)	26
Benzo(a)pyrene	affects cotreatment, decreases reaction, increases expression, increases activity, increases reaction	24
Acetylcysteine	decreases reaction, increases activity, increases reaction, increases abundance, decreases response to substance (+4 more)	20
Benzene	affects metabolic processing, increases metabolic processing, increases expression, affects reaction, increases response to substance (+1 more)	20
Resveratrol	affects cotreatment, affects reaction, affects localization, decreases expression, increases activity (+3 more)	19
2-tert-butylhydroquinone	affects binding, increases reaction, decreases expression, increases activity, decreases reaction (+3 more)	18
Arsenic Trioxide	decreases reaction, increases expression, decreases expression, increases reaction, decreases response to substance (+3 more)	15
Dicumarol	decreases expression, affects response to substance, affects cotreatment, increases expression, decreases activity (+6 more)	14
Hydrogen Peroxide	increases metabolic processing, decreases reaction, increases expression, affects reaction, increases abundance (+3 more)	14
Tobacco Smoke Pollution	affects cotreatment, increases expression, increases reaction, affects expression	14
Vehicle Emissions	affects expression, increases reaction, decreases expression, decreases reaction, increases expression (+1 more)	12
Cadmium Chloride	decreases reaction, increases expression, affects reaction, affects cotreatment, decreases expression (+1 more)	12
Air Pollutants	decreases reaction, decreases expression, increases abundance, increases expression, increases activity (+2 more)	11
hydroquinone	increases reaction, increases activity, decreases reaction, increases response to substance, decreases response to substance (+1 more)	10
Arsenic	decreases expression, increases expression, increases abundance, affects cotreatment, affects reaction	10
Paraquat	decreases expression, increases reaction, affects cotreatment, increases expression	10
Cisplatin	increases expression, increases reaction, affects cotreatment, decreases expression, affects reaction (+2 more)	9
beta-Naphthoflavone	increases reaction, increases expression, decreases reaction, affects binding	9
arsenite	affects expression, affects binding, increases reaction, decreases response to substance, increases response to substance (+5 more)	8
Acetaminophen	decreases reaction, increases expression, decreases expression, increases activity	8
Smoke	decreases reaction, decreases expression, increases abundance, increases expression, increases reaction	8
Mitomycin	decreases activity, decreases response to substance, increases activity, affects activity, increases expression (+6 more)	8
lead acetate	increases reaction, decreases expression, decreases reaction, increases abundance, affects expression (+1 more)	7
2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one	decreases reaction, increases expression, decreases abundance	7
Curcumin	decreases expression, decreases reaction, increases expression	7
Lead	decreases reaction, increases abundance, affects expression, increases expression, increases reaction (+1 more)	7
Plant Extracts	affects cotreatment, decreases reaction, increases expression, increases activity	7

ChEMBL screening assays

279 unique, capped per target: 227 binding, 48 admet, 4 functional

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1004305	Binding	Induction of quinone reductase	Limnophilaspiroketone, a highly oxygenated phenolic derivative from Limnophila geoffrayi. — J Nat Prod
CHEMBL2351483	ADMET	Activity of human recombinant NQO1 assessed as oxygen consumption per mg of protein measured over 3 mins by electrochemistry	Synthesis of new quinolinequinone derivatives and preliminary exploration of their cytotoxic properties. — J Med Chem
CHEMBL669230	Functional	Rate of reduction by human recombinant DTD	Cross-linking and sequence-specific alkylation of DNA by aziridinylquinones. 3. Effects of alkyl substituents. — J Med Chem

Cellosaurus cell lines

11 cell lines: 10 cancer cell line, 1 transformed cell line

First 10 cell lines (id-ordered, not curated):

Cellosaurus	Name	Category	Sex
CVCL_B9ZA	Abcam THP-1 NQO1 KO	Cancer cell line	Male
CVCL_C7AZ	Abcam PC-3 NQO1 KO	Cancer cell line	Male
CVCL_D7FX	Ubigene 22Rv1 NQO1 KO	Cancer cell line	Male
CVCL_D7W1	Ubigene A-549 NQO1 KO	Cancer cell line	Male
CVCL_E1KF	HyCyte HEK293T KO-hNQO1	Transformed cell line	Female
CVCL_H581	BE-NQ2	Cancer cell line	Male
CVCL_H582	BE-NQ3	Cancer cell line	Male
CVCL_H583	BE-NQ4	Cancer cell line	Male
CVCL_H584	BE-NQ5	Cancer cell line	Male
CVCL_H585	BE-NQ7	Cancer cell line	Male

Clinical trials (associated diseases)

300 trials via MONDO — disease-level, not drug-specific.

Trial	Phase	Status	Title
NCT00365508	PHASE4	COMPLETED	Counseling and Nicotine Replacement Therapy in Helping Adult Smokers Quit Smoking
NCT00558155	PHASE4	COMPLETED	The Impact of Immunostimulating Nutrition on the Outcome of Surgery
NCT00576940	PHASE4	COMPLETED	Standard and Immunostimulating Enteral Nutrition in Surgical Patients
NCT00666978	PHASE4	COMPLETED	Health Education Counseling With or Without Bupropion in Helping African Americans Stop Smoking
NCT01038154	PHASE4	UNKNOWN	Study to Evaluate the Efficacy of Pravastatin on Survival and Recurrence of Advanced Gastroesophageal Cancer
NCT01234272	PHASE4	COMPLETED	Comparison of the Analgesic Effect Between Intrathecal Morphine and IV-fentanyl Patient Controlled Analgesia (ITM-IVPCA) and Epidural PCA (PCEA) in Patients Undergoing Gastrectomy -Randomized Allocation Study-
NCT01260194	PHASE4	TERMINATED	A Study of Herceptin (Trastuzumab) in Combination With Standard Chemotherapy in Patients With HER Positive Metastatic Gastric Cancer
NCT01271582	PHASE4	UNKNOWN	Investigation of Association Between UGT1A1 Polymorphisms and Irinotecan Toxicity in Korean Patients
NCT01401075	PHASE4	COMPLETED	RCT With Adjuvant Mistletoe Treatment in Gastric Cancer Patients
NCT01471756	PHASE4	COMPLETED	Improving Complete Endoscopic Mucosal Resection (EMR) of Colorectal Neoplasia
NCT01766765	PHASE4	UNKNOWN	Early Jejunostomy Nutrition Minimizes Time to Chemotherapy
NCT01910948	PHASE4	UNKNOWN	Perioperative Application of Omega-3 Polyunsaturated Fatty Acids in Gastric Cancer Patients
NCT01927328	PHASE4	UNKNOWN	Iron Replacement in Oesophagogastric Neoplasia
NCT01962272	PHASE4	COMPLETED	The Effect of Nutritional Counseling for Cancer Patients
NCT01962376	PHASE4	UNKNOWN	Preoperative Chemotherapy With Bevacizumab For Potentially Resectable Gastric Cancer With Liver Metastasis
NCT02047994	PHASE4	RECRUITING	Multicentric Randomized Study of H. Pylori Eradication and Pepsinogen Testing for Prevention of Gastric Cancer Mortality
NCT02235246	PHASE4	COMPLETED	The Effect of Perioperative Intravenous Magnesium on Pain After Endoscopic Submucosal Dissection for Gastric Neoplasm: Prospective Randomized Double-blind Placebo Controlled Study
NCT02366819	PHASE4	SUSPENDED	Genetic Analysis-Guided Irinotecan Hydrochloride Dosing of mFOLFIRINOX in Treating Patients With Locally Advanced Gastroesophageal or Stomach Cancer
NCT02401971	PHASE4	UNKNOWN	Irinotecan Plus Thalidomide in Second Line Advanced Gastric Cancer
NCT02458573	PHASE4	COMPLETED	Comparison of the Effects of Continuous Epidural Analgesia and Continuous Intravenous Analgesia on Postoperative Bowel Movement in Patients Undergoing Laparoscopic Gastrectomy
NCT02638584	PHASE4	COMPLETED	Effects of Ilaprazole on Ulcer Healing Rate and Prevention of Gastrointestinal Bleeding in the Patients Undergone ESD.
NCT02776527	PHASE4	UNKNOWN	A Clinical Trial of Maintenance Treatment of Apatinib in Advanced Gastric Cancer Patients Have Completed Postoprative Adjuvant Chemotherapy
NCT03384511	PHASE4	COMPLETED	The Use of 18F-ALF-NOTA-PRGD2 PET/CT Scan to Predict the Efficacy and Adverse Events of Apatinib in Malignancies.
NCT03550482	PHASE4	COMPLETED	Oncoxin® and Quality of Life in Cancer Patients
NCT03609892	PHASE4	COMPLETED	Helicobacter Rescue Therapy With Berberine Plus Amoxicillin Quadruple Therapy Versus Tetracycline Plus Furazolidone Quadruple Therapy
NCT03642093	PHASE4	UNKNOWN	HOPE - A Study to Evaluate the Effect of a Prehabilitation Program on GI Cancer Patients Planning to Undergo Surgery
NCT03733639	PHASE4	UNKNOWN	Tisseel® as a Reinforcement of Esophagojejunal Anastomoses
NCT04168346	PHASE4	NOT_YET_RECRUITING	Preoperative Intravenous Iron Therapy in Patients With Gastric Cancer
NCT04209933	PHASE4	COMPLETED	Helicobacter Pylori Eradication With Different Bismuth Quadruple Therapies
NCT04591028	PHASE4	WITHDRAWN	A Study to Evaluate Indocyanine Green Lymphangiography to Improve Lymphadenectomy in Gastric Cancer Patients
NCT04607057	PHASE4	UNKNOWN	Supplemental Parenteral Nutrition During Postgastrectomy in Nutritionally at Risk Patient
NCT04660123	PHASE4	COMPLETED	A Real World Study of Bismuth Colloidal Pectin Granules Quadruple Therapy for H. Pylori Eradication
NCT04678492	PHASE4	COMPLETED	Helicobacter Rescue Therapy With High-dose Esomeprazole and Amoxicillin Dual Therapy Versus Bismuth-containing Quadruple Therapy
NCT04697186	PHASE4	COMPLETED	Helicobacter Pylori Eradication With Berberine Plus Amoxicillin Triple Therapy Versus Bismuth-containing Quadruple Therapy
NCT05029453	PHASE4	UNKNOWN	Apatinib Combined With Chemotherapy Versus Chemotherapy in Second-line Gastric Cancer Receiving Prior Anti-PD-1 Therapy
NCT05183126	PHASE4	RECRUITING	Pharmacokinetic Study of Skeletal Muscle Area-based Paclitaxel Infusion in Patients With Cancer
NCT05354856	PHASE4	TERMINATED	The Effect of Chemoradiotherapy on Gastric Perfusion in Patients With Gastric Cancer.
NCT05410535	PHASE4	COMPLETED	To Evaluate Efficacy of Ursodeoxycholic Acid (UDCA) for the Prevention of Gallstone Formation After Gasterectomy
NCT05498766	PHASE4	NOT_YET_RECRUITING	Effect and Safety of Huaier Granule Versus SOX Regimen in Gastric Cancer Patients
NCT05518929	PHASE4	COMPLETED	Hypoxia During Gastroenterological Endoscope Procedures Sedated With Ciprofol In Overweight Or Obesity Patients