CYP2A7

Summary

CYP2A7 (cytochrome P450 family 2 subfamily A member 7, HGNC:2611) is a protein-coding gene on chromosome 19q13.2, encoding Cytochrome P450 2A7 (P20853). Cytochromes P450 are a group of heme-thiolate monooxygenases.

This gene encodes a member of the cytochrome P450 superfamily of enzymes. The cytochrome P450 proteins are monooxygenases which catalyze many reactions involved in drug metabolism and synthesis of cholesterol, steroids and other lipids. This protein localizes to the endoplasmic reticulum; its substrate has not yet been determined. This gene, which produces two transcript variants, is part of a large cluster of cytochrome P450 genes from the CYP2A, CYP2B and CYP2F subfamilies on chromosome 19q.

Source: NCBI Gene 1549 — RefSeq curated summary.

At a glance

• GWAS associations: 9
• Clinical variants (ClinVar): 133 total — 1 likely-pathogenic
• Druggable target: yes — 1 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_000764

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:2611
Approved symbol	CYP2A7
Name	cytochrome P450 family 2 subfamily A member 7
Location	19q13.2
Locus type	gene with protein product
Status	Approved
Aliases	CYP2A
Ensembl gene	ENSG00000198077
Ensembl biotype	protein_coding
OMIM	608054
Entrez	1549

Gene structure

Transcript identifiers

Ensembl transcripts: 10 — 7 protein_coding, 2 retained_intron, 1 nonsense_mediated_decay

ENST00000291764, ENST00000301146, ENST00000594332, ENST00000598264, ENST00000602008, ENST00000860330, ENST00000860331, ENST00000860332, ENST00000860333, ENST00000967944

RefSeq mRNA: 2 — MANE Select: NM_000764 NM_000764, NM_030589

CCDS: CCDS12569

Canonical transcript exons

ENST00000301146 — 9 exons

Exon	Start	End
ENSE00001114621	40875439	40875874
ENSE00001137405	40881589	40881751
ENSE00002476609	40876527	40876668
ENSE00002530926	40877190	40877377
ENSE00003069155	40882031	40882231
ENSE00003525337	40878760	40878936
ENSE00003534371	40880479	40880628
ENSE00003654993	40877852	40877993
ENSE00003669281	40880084	40880244

Expression profiles

Bgee: expression breadth ubiquitous, 123 present calls, max score 94.14.

FANTOM5 (CAGE): breadth tissue_specific, TPM avg 0.1971 / max 160.7469, expressed in 7 samples.

FANTOM5 promoters (1 alternative TSS)

Promoter ID	TPM avg	Samples expressed
181017	0.1971	7

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
liver	UBERON:0002107	94.14	gold quality
right lobe of liver	UBERON:0001114	93.26	gold quality
vagina	UBERON:0000996	71.14	gold quality
ectocervix	UBERON:0012249	65.76	gold quality
right ovary	UBERON:0002118	63.38	gold quality
uterine cervix	UBERON:0000002	62.51	gold quality
myometrium	UBERON:0001296	62.37	gold quality
left ovary	UBERON:0002119	61.66	gold quality
body of uterus	UBERON:0009853	61.10	gold quality
sural nerve	UBERON:0015488	60.66	gold quality
ovary	UBERON:0000992	60.12	gold quality
stromal cell of endometrium	CL:0002255	60.11	gold quality
endocervix	UBERON:0000458	58.88	gold quality
primary visual cortex	UBERON:0002436	57.41	gold quality
right lung	UBERON:0002167	57.34	gold quality
olfactory segment of nasal mucosa	UBERON:0005386	57.27	gold quality
corpus callosum	UBERON:0002336	56.56	gold quality
superior frontal gyrus	UBERON:0002661	55.19	gold quality
calcaneal tendon	UBERON:0003701	55.09	gold quality
colonic epithelium	UBERON:0000397	54.66	gold quality
skeletal muscle tissue	UBERON:0001134	54.48	gold quality
thoracic mammary gland	UBERON:0005200	53.22	gold quality
C1 segment of cervical spinal cord	UBERON:0006469	52.87	gold quality
substantia nigra	UBERON:0002038	52.64	gold quality
hypothalamus	UBERON:0001898	52.30	gold quality
upper lobe of left lung	UBERON:0008952	52.07	gold quality
subcutaneous adipose tissue	UBERON:0002190	52.03	gold quality
Ammon’s horn	UBERON:0001954	52.02	gold quality
right adrenal gland cortex	UBERON:0035827	51.76	gold quality
right adrenal gland	UBERON:0001233	51.71	gold quality

Single-cell (SCXA)

Detected in 1 experiment(s), a significant marker in 1.

Experiment	Marker?	Max mean expression
E-ANND-3	yes	2.79

Regulation

Is transcription factor: no

miRNA regulators (miRDB)

5 targeting CYP2A7, 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-6515-3P	99.82	68.19	1933
HSA-MIR-5006-3P	99.71	70.26	2728
HSA-MIR-4761-5P	99.51	66.69	804
HSA-MIR-558	97.50	67.16	977
HSA-MIR-103B	95.51	66.85	441

Literature-anchored findings (GeneRIF, showing 4)

• CYP2A6/2A7 and CYP2E1 expression in human oesophageal mucosa: regional and inter-individual variation in expression and relevance to nitrosamine metabolism (PMID:11960914)
• CYP2A7 affects CYP2A6 expression by competing for miR-126* binding. (PMID:25710939)
• CNV deletion at the CYP2A7 is associated with decreased ovarian cancer risk in BRCA1 carriers. (PMID:28145423)
• Single nucleotide polymorphism in CYP2A7 gene is associated with smoking in whites with Chronic Obstructive Pulmonary Disease. (PMID:29767774)

Cross-species orthologs

7 orthologs

Organism	Symbol	Gene ID
mus_musculus	Cyp2a5	ENSMUSG00000005547
mus_musculus	Cyp2a12	ENSMUSG00000060407
mus_musculus	Cyp2a4	ENSMUSG00000074254
mus_musculus	Cyp2a22	ENSMUSG00000091867
rattus_norvegicus	Cyp2a1	ENSRNOG00000020817
rattus_norvegicus	Cyp2a3	ENSRNOG00000068556
rattus_norvegicus	Cyp2a2	ENSRNOG00000069320

Paralogs (15): CYP2W1 (ENSG00000073067), CYP2D6 (ENSG00000100197), CYP2C18 (ENSG00000108242), CYP2E1 (ENSG00000130649), CYP2J2 (ENSG00000134716), CYP2C9 (ENSG00000138109), CYP2C8 (ENSG00000138115), CYP2U1 (ENSG00000155016), CYP2C19 (ENSG00000165841), CYP2S1 (ENSG00000167600), CYP2R1 (ENSG00000186104), CYP2B6 (ENSG00000197408), CYP2F1 (ENSG00000197446), CYP2A13 (ENSG00000197838), CYP2A6 (ENSG00000255974)

Protein

Protein identifiers

Cytochrome P450 2A7 — P20853 (reviewed: P20853)

Alternative names: CYPIIA7, Cytochrome P450 IIA4

All UniProt accessions (3): F8W816, P20853, M0R020

UniProt curated annotations — full annotation on UniProt →

Function. Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.

Subcellular location. Endoplasmic reticulum membrane. Microsome membrane.

Induction. P450 can be induced to high levels in liver and other tissues by various foreign compounds, including drugs, pesticides, and carcinogens.

Similarity. Belongs to the cytochrome P450 family.

RefSeq proteins (2): NP_000755, NP_085079 (=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR001128	Cyt_P450	Family
IPR002401	Cyt_P450_E_grp-I	Family
IPR008067	Cyt_P450_E_grp-I_CYP2A-like	Family
IPR017972	Cyt_P450_CS	Conserved_site
IPR036396	Cyt_P450_sf	Homologous_superfamily
IPR050182	Cytochrome_P450_fam2	Family

Pfam: PF00067

Catalyzed reactions (Rhea), 1 shown:

• an organic molecule + reduced [NADPH–hemoprotein reductase] + O2 = an alcohol + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:17149)

UniProt features (21 total): sequence conflict 11, sequence variant 8, chain 1, binding site 1

Structure

Experimental structures (PDB)

0 structures.

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P20853-F1	95.63	0.91

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 (1): 439 (axial binding residue)

Function

Pathways and Gene Ontology

Reactome pathways

3 pathways

ID	Pathway
R-HSA-211935	Fatty acids
R-HSA-211981	Xenobiotics
R-HSA-211999	CYP2E1 reactions

MSigDB gene sets: 80 (showing top): REACTOME_BIOLOGICAL_OXIDATIONS, BENPORATH_ES_WITH_H3K27ME3, MODULE_255, GOMF_OXIDOREDUCTASE_ACTIVITY_ACTING_ON_PAIRED_DONORS_WITH_INCORPORATION_OR_REDUCTION_OF_MOLECULAR_OXYGEN, MODULE_317, GOBP_LONG_CHAIN_FATTY_ACID_METABOLIC_PROCESS, GOBP_MONOCARBOXYLIC_ACID_METABOLIC_PROCESS, FOXD3_01, GOBP_LIPID_METABOLIC_PROCESS, GOBP_ORGANIC_ACID_METABOLIC_PROCESS, MODULE_88, GOBP_UNSATURATED_FATTY_ACID_METABOLIC_PROCESS, GOBP_ARACHIDONATE_METABOLIC_PROCESS, GOBP_EPOXYGENASE_P450_PATHWAY, GOMF_OXYGEN_BINDING

GO Biological Process (3): xenobiotic metabolic process (GO:0006805), coumarin metabolic process (GO:0009804), epoxygenase P450 pathway (GO:0019373)

GO Molecular Function (9): iron ion binding (GO:0005506), arachidonate epoxygenase activity (GO:0008392), oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen (GO:0016712), oxygen binding (GO:0019825), heme binding (GO:0020037), monooxygenase activity (GO:0004497), oxidoreductase activity (GO:0016491), oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen (GO:0016705), metal ion binding (GO:0046872)

GO Cellular Component (4): cytoplasm (GO:0005737), endoplasmic reticulum membrane (GO:0005789), endoplasmic reticulum (GO:0005783), membrane (GO:0016020)

Reactome top-level categories

Rollup of top-2 pathways:

Category	Pathways
Cytochrome P450 - arranged by substrate type	2
Xenobiotics	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
oxidoreductase activity	2
cellular anatomical structure	2
metabolic process	1
cellular response to xenobiotic stimulus	1
phenylpropanoid metabolic process	1
arachidonate metabolic process	1
transition metal ion binding	1
arachidonate monooxygenase activity	1
monooxygenase activity	1
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen	1
small molecule binding	1
tetrapyrrole binding	1
catalytic activity	1
cation binding	1
intracellular anatomical structure	1
organelle membrane	1
nuclear outer membrane-endoplasmic reticulum membrane network	1
endoplasmic reticulum subcompartment	1
cytoplasm	1
endomembrane system	1
intracellular membrane-bounded organelle	1

Protein interactions and networks

STRING

1336 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
CYP2A7	PPIG	Q13427	875
CYP2A7	APOC2	P02655	732
CYP2A7	NR1I2	O75469	618
CYP2A7	GPI	P06744	534
CYP2A7	PEPD	P12955	530
CYP2A7	CEACAM7	Q14002	524
CYP2A7	CKM	P06732	508
CYP2A7	CEACAM4	O75871	485
CYP2A7	CEACAM3	P40198	463
CYP2A7	RYR1	P21817	459
CYP2A7	APOC1	P02654	455
CYP2A7	PEX13	Q92968	441
CYP2A7	PIGQ	Q9BRB3	436
CYP2A7	CEACAM8	P31997	435
CYP2A7	NR1I3	Q14994	422

IntAct

2 interactions, top by confidence:

A	B	Type	Score
CYP2A7	CYP2A6	psi-mi:“MI:0914”(association)	0.350

BioGRID (2): CYP2A6 (Affinity Capture-MS), CYP2A13 (Affinity Capture-MS)

ESM2 similar proteins: E9Q5K4, O55071, O62671, P00179, P00180, P00181, P00182, P05178, P05179, P05180, P05181, P08683, P11371, P11509, P11711, P11712, P12790, P13107, P15123, P15392, P17666, P19225, P20678, P20812, P20814, P20852, P20853, P24454, P24470, P33260, P33261, P33263, P33264, P33265, P33272, P33273, P56593, P56594, P56654, P56655

Diamond homologs: A0A098DJ84, A0A0D9MRV9, A0A0E3D8L2, A0A0U5GRB4, A0A1B4XBH1, A0A1L9WQW4, A0A1V1FNZ5, A0A2I6PJ08, A0A2K9RG08, A0A2Z5TMB8, A0A3Q7HBJ5, A0A411KUQ5, A0A517FNC4, A0A5B8NBK9, A0A5B8ND26, A0A6S6AA17, A0AAW1JA93, B8NHY4, B9X287, E1ACQ2, E9Q5K4, E9Q816, F1SY70, G0KYB2, H2DH17, I3V6B7, M1WEN7, O15528, O18963, O35132, O65785, O80823, O81972, P00181, P05176, P05181, P08682, P0CT93, P0DO85, P10632

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

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

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	1
Uncertain significance	108
Likely benign	9
Benign	8

Top pathogenic / likely-pathogenic (1)

Variant ID	HGVS	Classification
217890	NC_000019.9:g.41360272_41392154del31883	Likely pathogenic

SpliceAI

1305 predictions. Top by Δscore:

Variant	Effect	Δscore
19:40876521:TCTTA:T	donor_loss	1.0000
19:40876522:CTTAC:C	donor_loss	1.0000
19:40876523:TTA:T	donor_loss	1.0000
19:40876524:T:TG	donor_loss	1.0000
19:40876525:A:AC	donor_gain	1.0000
19:40876525:A:AT	donor_loss	1.0000
19:40876526:C:CC	donor_gain	1.0000
19:40876668:CCTGG:C	acceptor_gain	1.0000
19:40877217:GGTGT:G	donor_gain	1.0000
19:40877221:T:TA	donor_gain	1.0000
19:40877229:AAC:A	donor_gain	1.0000
19:40877244:A:AC	donor_gain	1.0000
19:40877245:C:CC	donor_gain	1.0000
19:40877248:A:AC	donor_gain	1.0000
19:40877249:T:C	donor_gain	1.0000
19:40877258:CGT:C	donor_gain	1.0000
19:40877260:T:TA	donor_gain	1.0000
19:40877268:T:C	donor_gain	1.0000
19:40877373:CTTGG:C	acceptor_gain	1.0000
19:40877374:TTGG:T	acceptor_gain	1.0000
19:40877375:TGG:T	acceptor_gain	1.0000
19:40877378:C:CC	acceptor_gain	1.0000
19:40877849:TACC:T	donor_loss	1.0000
19:40877850:AC:A	donor_gain	1.0000
19:40877851:CC:C	donor_gain	1.0000
19:40877993:CCTGC:C	acceptor_loss	1.0000
19:40877994:CT:C	acceptor_loss	1.0000
19:40877995:T:A	acceptor_loss	1.0000
19:40878761:T:TA	donor_gain	1.0000
19:40878794:T:TA	donor_gain	1.0000

AlphaMissense

3299 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
19:40876534:A:C	F432L	0.977
19:40876534:A:T	F432L	0.977
19:40876536:A:G	F432L	0.977
19:40876597:G:C	F411L	0.976
19:40876597:G:T	F411L	0.976
19:40876599:A:G	F411L	0.976
19:40877278:T:A	E358V	0.974
19:40877291:C:G	A354P	0.974
19:40876582:G:C	F416L	0.969
19:40876582:G:T	F416L	0.969
19:40876584:A:G	F416L	0.969
19:40877887:C:T	G313D	0.963
19:40877290:G:T	A354E	0.959
19:40876598:A:G	F411S	0.957
19:40877967:G:C	F286L	0.956
19:40877967:G:T	F286L	0.956
19:40877969:A:G	F286L	0.956
19:40877888:C:G	G313R	0.955
19:40881638:G:C	F98L	0.949
19:40881638:G:T	F98L	0.949
19:40881640:A:G	F98L	0.949
19:40880582:A:C	F130L	0.947
19:40880582:A:T	F130L	0.947
19:40880584:A:G	F130L	0.947
19:40877371:A:T	V327D	0.946
19:40876615:G:C	F405L	0.942
19:40876615:G:T	F405L	0.942
19:40876617:A:G	F405L	0.942
19:40878778:A:C	F271L	0.942
19:40878778:A:T	F271L	0.942

dbSNP variants (sampled 300 via entrez): RS1000138835 (19:40883895 T>G), RS1002234360 (19:40881027 G>A,C,T), RS1002533572 (19:40881714 A>G), RS1002561372 (19:40881879 G>A), RS1003128999 (19:40877646 G>T), RS1003431659 (19:40878496 A>G), RS1003992968 (19:40881959 T>A,C), RS1004328030 (19:40878237 A>C,G), RS1005591455 (19:40879190 T>C), RS1005674013 (19:40882656 G>A,C), RS1005705346 (19:40882808 C>T), RS1006004763 (19:40883674 G>A,C), RS1006356767 (19:40875902 G>A), RS1006493102 (19:40875647 C>G), RS1006902480 (19:40879751 T>C)

Disease associations

OMIM: gene MIM:608054 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

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

GWAS associations

9 associations (top):

Study	Trait	p-value
GCST003262_984	Post bronchodilator FEV1	3.000000e-07
GCST003262_996	Post bronchodilator FEV1	6.000000e-07
GCST003264_1417	Post bronchodilator FEV1/FVC ratio	1.000000e-06
GCST003629_2	Nicotine metabolite ratio in current smokers	1.000000e-41
GCST003629_6	Nicotine metabolite ratio in current smokers	1.000000e-21
GCST003629_8	Nicotine metabolite ratio in current smokers	8.000000e-14
GCST009640_54	Urinary albumin-to-creatinine ratio	4.000000e-08
GCST009921_7	Carotid intima media thickness (mean)	1.000000e-10
GCST90013406_196	Liver enzyme levels (alkaline phosphatase)	2.000000e-86

EFO canonical traits (5, from GWAS)

EFO ID	Trait name
EFO:0004314	forced expiratory volume
EFO:0004713	FEV/FVC ratio
EFO:0007794	nicotine metabolite ratio
EFO:0007778	urinary albumin to creatinine ratio
EFO:0004533	alkaline phosphatase measurement

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (1): CHEMBL4523986 (PROTEIN FAMILY)

Molecules with ChEMBL bioactivity

1 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 15,540 (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
CHEMBL477772	PAZOPANIB	4	15,540

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

PharmGKB variants

2 variants.

Variant	Genes	Level	Score	#Clin annots	Drugs
rs12460590	CYP2A6, CYP2A7		0.00	0
rs73032311	CYP2A7		0.00	0

GtoPdb / IUPHAR curated pharmacology

(IUPHAR/BPS Guide to Pharmacology — expert-curated)

Target class: enzyme — CYP2 family: drug metabolising subset

ChEMBL bioactivities

16 potent at pChembl≥5 of 17 total, top 16 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
6.60	IC50	251.2	nM	CHEMBL601428
6.16	IC50	700	nM	CHEMBL3330409
6.05	IC50	900	nM	CHEMBL3330410
5.96	IC50	1100	nM	CHEMBL2130955
5.72	IC50	1900	nM	CHEMBL2130955
5.60	IC50	2500	nM	CHEMBL5612347
5.55	IC50	2800	nM	CHEMBL2130955
5.43	IC50	3700	nM	CHEMBL5406721
5.43	IC50	3700	nM	CHEMBL46909
5.42	IC50	3800	nM	CHEMBL5418617
5.41	IC50	3900	nM	CHEMBL5429178
5.31	IC50	4900	nM	CHEMBL2130955
5.23	IC50	5900	nM	CHEMBL5406218
5.22	IC50	6053	nM	CHEMBL65590
5.10	IC50	7900	nM	PAZOPANIB
5.00	IC50	1e+04	nM	CHEMBL5395150

PubChem BioAssay actives

18 with measured affinity, of 466 total; 15 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
8-imidazol-1-yl-5,6,7,8-tetrahydroquinoline	2022035: Inhibition of CYP450 (unknown origin)	ic50	0.0335	uM
N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide	2108148: Inhibition of CYP450 (unknown origin)	ic50	0.2512	uM
2-(dimethylamino)-2-(2-ethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide	2119433: Inhibition of CYP450 (unknown origin)	ic50	0.7000	uM
2-pyrrolidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide	2119433: Inhibition of CYP450 (unknown origin)	ic50	0.9000	uM
2-[4-(trifluoromethyl)phenyl]chromen-4-one	1860369: Inhibition of CYP450 in human HCT-116 cells assessed as 20-HETE formation in presence of arachidonic acid incubated for 15 mins by multi-enzyme assay based LC-MS/MS analysis	ic50	1.1000	uM
4-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-N-[[(7R)-5,6,7,8-tetrahydro-1,6-naphthyridin-7-yl]methyl]cyclohexane-1,4-diamine	2124397: Inhibition of CYP450 (unknown origin)	ic50	2.5000	uM
1-[3-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.7000	uM
1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.7000	uM
2,4-bis(3,5-dimethoxyphenyl)pyrimidine	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.8000	uM
2,5-bis(3,5-dimethoxyphenyl)thiophene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.9000	uM
4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	5.9000	uM
1-pyridin-4-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-ol	2022025: Inhibition of CYP450 in human liver microsomes	ic50	6.0534	uM
(5R)-3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one	306257: Inhibition of CYP450	ic50	7.9433	uM
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one	306257: Inhibition of CYP450	ic50	10.0000	uM
1-[3-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	10.0000	uM

CTD chemical–gene interactions

27 total (human), top 27 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Benzo(a)pyrene	decreases expression, increases methylation	3
Aflatoxin B1	affects expression, decreases expression, decreases methylation	3
lasiocarpine	decreases expression	1
methyleugenol	decreases expression	1
fipronil	affects cotreatment, increases expression	1
Rosiglitazone	decreases expression	1
Troglitazone	decreases expression	1
Air Pollutants	decreases expression, increases abundance	1
Calcitriol	affects cotreatment, increases expression	1
DEET	increases expression, affects cotreatment	1
Dimethylnitrosamine	increases activity, increases metabolic processing	1
Dust	decreases expression	1
Endosulfan	affects cotreatment, decreases expression	1
Estradiol	decreases expression	1
Hydralazine	affects cotreatment, increases expression	1
Methylcholanthrene	affects binding, increases reaction	1
N-Nitrosopyrrolidine	decreases expression	1
Phenobarbital	increases expression	1
Testosterone	affects cotreatment, increases expression	1
Tetrachlorodibenzodioxin	affects cotreatment, decreases expression	1
Tobacco Smoke Pollution	decreases expression	1
Triclosan	decreases expression	1
Valproic Acid	affects cotreatment, increases expression	1
Cyclosporine	decreases expression	1
Okadaic Acid	decreases expression	1
Chlorodiphenyl (54% Chlorine)	increases expression	1
Particulate Matter	decreases expression, increases abundance	1

ChEMBL screening assays

183 unique, capped per target: 181 admet, 2 binding

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL2060324	ADMET	Inhibition of CYP450	Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR. — Bioorg Med Chem Lett
CHEMBL4614611	Binding	Drug metabolism in human liver microsomes assessed as Cytochrome P450-mediated formation of 12-OHNVP by measuring Kcat/Km ratio in presence of NADPH regenerating reagents by uHPLC-MS/MS analysis	Twelfth-Position Deuteration of Nevirapine Reduces 12-Hydroxy-Nevirapine Formation and Nevirapine-Induced Hepatocyte Death. — J Med Chem

Clinical trials (associated diseases)

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