CYP1A2

Summary

CYP1A2 (cytochrome P450 family 1 subfamily A member 2, HGNC:2596) is a protein-coding gene on chromosome 15q24.1, encoding Cytochrome P450 1A2 (P05177). A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins.

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. The protein encoded by this gene localizes to the endoplasmic reticulum and its expression is induced by some polycyclic aromatic hydrocarbons (PAHs), some of which are found in cigarette smoke. The enzyme’s endogenous substrate is unknown; however, it is able to metabolize some PAHs to carcinogenic intermediates. Other xenobiotic substrates for this enzyme include caffeine, aflatoxin B1, and acetaminophen. The transcript from this gene contains four Alu sequences flanked by direct repeats in the 3’ untranslated region.

Source: NCBI Gene 1544 — RefSeq curated summary.

At a glance

• GWAS associations: 18
• Clinical variants (ClinVar): 64 total — 1 pathogenic
• Druggable target: yes — 400 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_000761

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:2596
Approved symbol	CYP1A2
Name	cytochrome P450 family 1 subfamily A member 2
Location	15q24.1
Locus type	gene with protein product
Status	Approved
Aliases	P3-450, CP12
Ensembl gene	ENSG00000140505
Ensembl biotype	protein_coding
OMIM	124060
Entrez	1544

Gene structure

Transcript identifiers

Ensembl transcripts: 9 — 9 protein_coding

ENST00000343932, ENST00000872474, ENST00000872475, ENST00000872476, ENST00000872477, ENST00000872478, ENST00000872479, ENST00000872480, ENST00000872481

RefSeq mRNA: 1 — MANE Select: NM_000761 NM_000761

CCDS: CCDS32293

Canonical transcript exons

ENST00000343932 — 7 exons

Exon	Start	End
ENSE00000943463	74751765	74751854
ENSE00001251573	74751189	74751309
ENSE00001298457	74753184	74753270
ENSE00001311665	74754791	74756607
ENSE00001318495	74752124	74752247
ENSE00001327369	74749730	74750569
ENSE00001381360	74748845	74748897

Expression profiles

Bgee: expression breadth ubiquitous, 116 present calls, max score 96.01.

FANTOM5 (CAGE): breadth tissue_specific, TPM avg 1.7178 / max 1095.4078, expressed in 15 samples.

FANTOM5 promoters (3 alternative TSS)

Promoter ID	TPM avg	Samples expressed
147708	1.6818	15
147709	0.0219	5
147710	0.0141	5

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
buccal mucosa cell	CL:0002336	96.01	gold quality
right lobe of liver	UBERON:0001114	95.32	gold quality
liver	UBERON:0002107	94.87	gold quality
superficial temporal artery	UBERON:0001614	89.42	silver quality
cardia of stomach	UBERON:0001162	87.19	silver quality
nipple	UBERON:0002030	87.07	gold quality
vena cava	UBERON:0004087	86.10	silver quality
hair follicle	UBERON:0002073	85.78	gold quality
diaphragm	UBERON:0001103	85.67	gold quality
mucosa of paranasal sinus	UBERON:0005030	85.16	silver quality
subthalamic nucleus	UBERON:0001906	85.13	silver quality
sperm	CL:0000019	84.99	silver quality
ventral tegmental area	UBERON:0002691	84.76	silver quality
lateral nuclear group of thalamus	UBERON:0002736	84.46	gold quality
superior surface of tongue	UBERON:0007371	84.31	gold quality
pharyngeal mucosa	UBERON:0000355	84.14	gold quality
inferior vagus X ganglion	UBERON:0005363	84.07	silver quality
pylorus	UBERON:0001166	83.87	silver quality
tongue	UBERON:0001723	83.86	silver quality
male germ cell	CL:0000015	83.70	silver quality
substantia nigra pars reticulata	UBERON:0001966	83.58	silver quality
pericardium	UBERON:0002407	83.56	silver quality
pons	UBERON:0000988	83.44	silver quality
substantia nigra pars compacta	UBERON:0001965	83.27	silver quality
saphenous vein	UBERON:0007318	83.23	silver quality
dorsal plus ventral thalamus	UBERON:0001897	83.06	silver quality
superior vestibular nucleus	UBERON:0007227	82.88	silver quality
renal medulla	UBERON:0000362	82.79	gold quality
trigeminal ganglion	UBERON:0001675	82.12	silver quality
lower lobe of lung	UBERON:0008949	81.90	silver quality

Single-cell (SCXA)

Detected in 2 experiment(s), a significant marker in 1.

Experiment	Marker?	Max mean expression
E-ANND-3	yes	2.94
E-ENAD-27	no	3.87

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): AHR, AHRR, AP1, AR, ARNT, FOS, HNF1A, JUN, NFIA, NR1H3, NR1I2, NR1I3, RELA, TCF3, USF1, USF2

miRNA regulators (miRDB)

75 targeting CYP1A2, 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-5011-5P	100.00	83.46	5820
HSA-MIR-190A-3P	100.00	80.35	5520
HSA-MIR-3924	100.00	72.09	2394
HSA-MIR-3120-5P	100.00	65.56	965
HSA-MIR-371B-5P	99.99	75.34	4759
HSA-MIR-6077	99.99	68.04	2299
HSA-MIR-373-5P	99.98	75.36	4753
HSA-MIR-616-5P	99.98	75.58	4775
HSA-MIR-8068	99.98	73.85	2376
HSA-MIR-6888-3P	99.97	65.95	1170
HSA-MIR-6780A-5P	99.88	66.69	2776
HSA-MIR-221-5P	99.86	65.45	1052
HSA-MIR-8073	99.86	65.21	1118
HSA-MIR-4728-5P	99.85	69.39	4718
HSA-MIR-6785-5P	99.82	68.68	4428
HSA-MIR-1273H-5P	99.77	66.32	2471
HSA-MIR-320A-3P	99.77	69.73	2107
HSA-MIR-320B	99.77	69.73	2107
HSA-MIR-320C	99.77	69.73	2107
HSA-MIR-320D	99.77	69.73	2107
HSA-MIR-4429	99.77	69.62	2111
HSA-MIR-6794-5P	99.76	66.38	1048
HSA-MIR-149-3P	99.72	68.22	3963
HSA-MIR-6779-5P	99.70	65.76	2363
HSA-MIR-30B-3P	99.70	65.76	2325
HSA-MIR-3689A-3P	99.70	65.73	2306
HSA-MIR-3689B-3P	99.70	65.71	2311
HSA-MIR-3689C	99.70	65.71	2311
HSA-MIR-33A-3P	99.70	70.27	3362

Literature-anchored findings (GeneRIF, showing 40)

• Investigators examining possible associations between early menarche and mutations in genes of estrogen metabolism found no such association for this gene. (PMID:11749050)
• Comparative aflatoxin B(1) activation and cytotoxicity in human bronchial cells expressing cytochromes P450 1A2 and 3A4. (PMID:11782366)
• CYP1A2 catalyzes other less important pathways, such as degradation at the amino/ethanolamino group. (PMID:11791895)
• characterization of human CYP1A1/1A2 induction by DNA microarray and alpha-naphthoflavone (PMID:12147246)
• DNA sequence variation in a 3.7-kb noncoding sequence 5’ of the CYP1A2 gene: implications for human population history and natural selection. (PMID:12181774)
• CYP1A2 can support uroporphyrin accumulation in hepatoma cells and thus may play a role in human porphyria cutanea tarda . (PMID:12566081)
• High-activity CYP1A2 and CYP1B1 alleles, whose gene products metabolize estradiol, were not associated with pubertal stage. (PMID:12692107)
• Incubation of racemic and nonracemic methadone with CYP3A4 revealed no stereoselectivity for the transformation to EDDP, whereas no EDDP formation was observed with CYP1A2. (PMID:12900870)
• A novel polymorphism in intron 1 of CYP1A2 affecting expression and inducibility of the enzyme, was sequenced in Ethiopians. (PMID:12920202)
• Mutations in the Plasmodium falciparum cytochrome B1 gene have been implied in resistance to atovaquone/proguanil combination. (PMID:14723376)
• decrease in activity is associated with testicular cancer (PMID:14976127)
• CYP1A1-1 (P = 0.004) and CYP1A1-2 (P = 0.03) were found to be associated with significantly decreased and increased risks of breast carcinoma, respectively. (PMID:15241822)
• marked impairment of CYP enzyme activity during allograft rejection which is presumably secondary to an increased intragraft production of proinflammatory cytokines and NO. (PMID:15349722)
• CYP1A2 gene is implicated in paranoid schizophrenia (PMID:15363478)
• The low inducibility genotype for CYP1A2 was associated with an increased risk of myocardial infarction (PMID:15466009)
• kinetic analysis of cytochrome P450 1A2 (PMID:15519301)
• No associations with polymorphisms of CYP1A2 gene and Tardive dyskinesia in Japanese patients with schizophrenia. (PMID:15564895)
• Determination of SNP frequencies in the CYP1A1_CYP1A2 locus. (PMID:15643613)
• polymorphisms and haplotype frequencies of CYP1A2 in a Japanese population (PMID:15770072)
• An increase in caffeine intake deteriorates the fecundity among women who have homozygous CYP1A21F alleles (PMID:15849225)
• Polymorphisms of the CYP1A2 and NAT1 genes is associated with pancreatic cancer risk (PMID:15987714)
• CYP1A1*2a may have a role in progression of acute myeloid leukemia (PMID:15996939)
• A new human hepatoma cell line (HepaRG) is found to able to express the major P450-related activities. (PMID:16204462)
• Isoniazid and rifampicin in the range of maximum clinical blood concentration have no significant inducing or inhibiting effect on the activity of CYP1A2 of healthy adult human primary hepatocytes. (PMID:16324277)
• Transgenic enzyme metabolizes 4-n-nonylphenol in tobacco cultures. (PMID:16402549)
• CYP1A1 and CYP1A2 induction by TCDD is differentially regulated in primary human hepatocytes versus transformed human cells (PMID:16426572)
• CYP1A2 genetic polymorphisms are associated with HCC susceptibility in smokers and HBsAg seronegative individuals in the Fusui endemic region of China (PMID:16495781)
• Induction of human CYP1A1 and CYP1A2 is simultaneously controlled through bidirectional and common regulatory elements. (PMID:16505155)
• CYP1A2 polymorphisms may not be related to breast cancer risk. (PMID:16538170)
• maternal hepatic CYP1A2, by sequestering dioxin and thus altering the pharmacokinetics, protects the embryos from toxicity and birth defects (PMID:16636061)
• The genotypes and allele frequencies of the MDR1/C3435T, FMO3/G488A, FMO3/A923G and CYP1A2/G-3860 A polymorphisms were not significantly different in cancer-free subjects and CRC patients. (PMID:16800822)
• These results establish the importance of coactivators PGC1alpha and SRC1 for the hepatic expression of human P450s and uncover a new HNF4alpha-dependent regulatory mechanism to constitutively control the CYP1A1/2 cluster. (PMID:16882880)
• This study is the first to investigate the distribution of the CYP1A2 (-163 C > A single nucleotide polymorphism) mutant allele in Ovambo, Korean and Mongolian populations. (PMID:16933202)
• Unlikely that CYP1A2 1545 C>T polymorphism contributes to the pathogenesis of tardive dyskinesia and schizophrenia. (PMID:16969362)
• Formula feeding appears to accelerate maturation of caffeine and DM metabolism by increasing the activity of CYP1A2 and CYP3A4, respectively. (PMID:17065585)
• We found significant differences in CYP1A2 enzyme activity between Swedes and Koreans. None of the investigated CYP1A2 haplotypes are critical in inducing variations in enzyme activity, with the exception of CYP1A2*1F. (PMID:17370067)
• An inhibition assay was developed and validated for CYP1A2 in liver microsomes. (PMID:17418993)
• CYP1A2 polymorphisms are associated with lung cancer (PMID:17477782)
• CYP1A2 variants *1C and *1D seem to be associated with higher serum clozapine concentrations and an increased risk of developing insulin and lipid elevations and insulin resistance on a given dose of clozapine (PMID:17503978)
• study examined whether the CYP1A2 genotype modifies the association between a history of coffee consumption and the risk of breast cancer among BRCA1 mutation carriers (PMID:17507615)

Cross-species orthologs

3 orthologs

Organism	Symbol	Gene ID
danio_rerio	cyp1a	ENSDARG00000098315
mus_musculus	Cyp1a2	ENSMUSG00000032310
rattus_norvegicus	Cyp1a2	ENSRNOG00000016173

Paralogs (2): CYP1B1 (ENSG00000138061), CYP1A1 (ENSG00000140465)

Protein

Protein identifiers

Cytochrome P450 1A2 — P05177 (reviewed: P05177)

Alternative names: CYPIA2, Cholesterol 25-hydroxylase, Cytochrome P(3)450, Cytochrome P450 4, Cytochrome P450-P3, Hydroperoxy icosatetraenoate dehydratase

All UniProt accessions (1): P05177

UniProt curated annotations — full annotation on UniProt →

Function. A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (NADPH–hemoprotein reductase). Catalyzes the hydroxylation of carbon-hydrogen bonds. Exhibits high catalytic activity for the formation of hydroxyestrogens from estrone (E1) and 17beta-estradiol (E2), namely 2-hydroxy E1 and E2. Metabolizes cholesterol toward 25-hydroxycholesterol, a physiological regulator of cellular cholesterol homeostasis. May act as a major enzyme for all-trans retinoic acid biosynthesis in the liver. Catalyzes two successive oxidative transformation of all-trans retinol to all-trans retinal and then to the active form all-trans retinoic acid. Primarily catalyzes stereoselective epoxidation of the last double bond of polyunsaturated fatty acids (PUFA), displaying a strong preference for the (R,S) stereoisomer. Catalyzes bisallylic hydroxylation and omega-1 hydroxylation of PUFA. May also participate in eicosanoids metabolism by converting hydroperoxide species into oxo metabolites (lipoxygenase-like reaction, NADPH-independent). Plays a role in the oxidative metabolism of xenobiotics. Catalyzes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin. Metabolizes caffeine via N3-demethylation.

Subunit / interactions. Interacts with PGRMC1; the interaction requires PGRMC1 homodimerization.

Subcellular location. Endoplasmic reticulum membrane. Microsome membrane.

Tissue specificity. Liver.

Induction. By nicotine, omeprazole, phenobarbital, primidone and rifampicin.

Pathway. Cofactor metabolism; retinol metabolism. Steroid metabolism; cholesterol metabolism. Lipid metabolism; arachidonate metabolism.

Polymorphism. The CYP1A21F allele which is quite common (40 to 50%) is due to a substitution of a base in the non-coding region of the CYP1A2 gene and has the effect of decreasing the enzyme inducibility. Individuals who are homozygous for the CYP1A21F allele are ‘slow’ caffeine metabolizers. Thus for these individual increased intake of caffeine seems to be associated with a concomitant increase in the risk of non-fatal myocardial infraction (MI).

Similarity. Belongs to the cytochrome P450 family.

RefSeq proteins (1): NP_000752* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR001128	Cyt_P450	Family
IPR002401	Cyt_P450_E_grp-I	Family
IPR008066	Cyt_P450_E_grp-I_CYP1	Family
IPR017972	Cyt_P450_CS	Conserved_site
IPR036396	Cyt_P450_sf	Homologous_superfamily

Pfam: PF00067

Enzyme classification (BRENDA):

• EC 1.14.14.1 — unspecific monooxygenase (BRENDA: 53 organisms, 363 substrates, 53 inhibitors, 69 Km, 40 kcat entries)
• EC 1.14.99.38 — cholesterol 25-monooxygenase (BRENDA: 12 organisms, 12 substrates, 2 inhibitors, 0 Km, 0 kcat entries)

Substrate kinetics (BRENDA)

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

Substrate	Km (mM)	Measurements
FENTHION	0.0016–0.131	18
NADH	0.004–1.43	13
NADPH	0.002–0.13	6
(1R)-CIS-PERMETHRIN	0.055–0.061	2
(1R)-TRANS-PERMETHRIN	0.115–0.131	2
(1S)-CIS-PERMETHRIN	0.057–0.063	2
(1S)-TRANS-PERMETHRIN	0.101–0.106	2
7-ETHOXYRESORUFIN	0.0001–0.0012	2
MYRISTIC ACID	0.023–0.11	2
OLEIC ACID	0.075–0.084	2
OMEGA-(P-NITROPHENYL)DECANOIC ACID	0.0064–0.0245	2
OMEGA-(P-NITROPHENYL)DODECANOIC ACID	0.0065–0.0104	2
OMEGA-(P-NITROPHENYL)OCTANOIC ACID	0.0319–0.0618	2
12-METHYL-TETRADECANOIC ACID	0.0129	1
13-METHYL-TETRADECANOIC ACID	0.0165	1

Catalyzed reactions (Rhea), 12 shown:

• an organic molecule + reduced [NADPH–hemoprotein reductase] + O2 = an alcohol + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:17149)
• (12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate = 12-oxo-(5Z,8Z,10E,14Z)-eicosatetraenoate + H2O (RHEA:37947)
• (5Z,8Z,11Z,14Z)-eicosatetraenoate + reduced [NADPH–hemoprotein reductase] + O2 = 19-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:39759)
• (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + reduced [NADPH–hemoprotein reductase] + O2 = (17R,18S)-epoxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:39779)
• all-trans-retinal + reduced [NADPH–hemoprotein reductase] + O2 = all-trans-retinoate + oxidized [NADPH–hemoprotein reductase] + H2O + 2 H(+) (RHEA:42088)
• all-trans-retinol + reduced [NADPH–hemoprotein reductase] + O2 = all-trans-retinal + oxidized [NADPH–hemoprotein reductase] + 2 H2O + H(+) (RHEA:42092)
• estrone + reduced [NADPH–hemoprotein reductase] + O2 = 2-hydroxyestrone + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47208)
• 17beta-estradiol + reduced [NADPH–hemoprotein reductase] + O2 = 2-hydroxy-17beta-estradiol + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47212)
• 17beta-estradiol + reduced [NADPH–hemoprotein reductase] + O2 = 4-hydroxy-17beta-estradiol + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47280)
• estrone + reduced [NADPH–hemoprotein reductase] + O2 = 4-hydroxyestrone + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47292)
• (5S)-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoate = 5-oxo-(6E,8Z,11Z,14Z)-eicosatetraenoate + H2O (RHEA:48632)
• (15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate = 15-oxo-(5Z,8Z,11Z,13E)-eicosatetraenoate + H2O (RHEA:48636)

UniProt features (78 total): helix 26, sequence variant 23, sequence conflict 9, strand 9, turn 6, binding site 2, initiator methionine 1, chain 1, glycosylation site 1

Structure

Experimental structures (PDB)

1 structures.

PDB	Method	Resolution (Å)
2HI4	X-RAY DIFFRACTION	1.95

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P05177-F1	95.66	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 (2): 226; 458 (axial binding residue)

Glycosylation sites (1): 69

Function

Pathways and Gene Ontology

Reactome pathways

7 pathways

ID	Pathway
R-HSA-156581	Methylation
R-HSA-211957	Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2
R-HSA-2142670	Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET)
R-HSA-2142816	Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE)
R-HSA-5423646	Aflatoxin activation and detoxification
R-HSA-9018681	Biosynthesis of protectins
R-HSA-9027307	Biosynthesis of maresin-like SPMs

MSigDB gene sets: 201 (showing top): REACTOME_BIOLOGICAL_OXIDATIONS, WANG_CLIM2_TARGETS_UP, GOMF_OXIDOREDUCTASE_ACTIVITY_ACTING_ON_PAIRED_DONORS_WITH_INCORPORATION_OR_REDUCTION_OF_MOLECULAR_OXYGEN, GNF2_GSTM1, XU_HGF_TARGETS_REPRESSED_BY_AKT1_DN, GNF2_HPN, GOBP_CELLULAR_RESPONSE_TO_CADMIUM_ION, GOBP_OXIDATIVE_DEMETHYLATION, GOBP_REGULATION_OF_HORMONE_LEVELS, GOBP_LONG_CHAIN_FATTY_ACID_METABOLIC_PROCESS, GOBP_RETINOL_METABOLIC_PROCESS, GOBP_MONOCARBOXYLIC_ACID_METABOLIC_PROCESS, GOBP_ORGANIC_ACID_BIOSYNTHETIC_PROCESS, GOBP_RESPONSE_TO_METAL_ION, GOBP_PORPHYRIN_CONTAINING_COMPOUND_METABOLIC_PROCESS

GO Biological Process (31): steroid catabolic process (GO:0006706), porphyrin-containing compound metabolic process (GO:0006778), xenobiotic metabolic process (GO:0006805), cholesterol metabolic process (GO:0008203), estrogen metabolic process (GO:0008210), toxin biosynthetic process (GO:0009403), toxin metabolic process (GO:0009404), post-embryonic development (GO:0009791), alkaloid metabolic process (GO:0009820), regulation of gene expression (GO:0010468), monoterpenoid metabolic process (GO:0016098), dibenzo-p-dioxin metabolic process (GO:0018894), epoxygenase P450 pathway (GO:0019373), lung development (GO:0030324), methylation (GO:0032259), monocarboxylic acid metabolic process (GO:0032787), xenobiotic catabolic process (GO:0042178), retinol metabolic process (GO:0042572), long-chain fatty acid biosynthetic process (GO:0042759), cellular respiration (GO:0045333), aflatoxin metabolic process (GO:0046222), hydrogen peroxide biosynthetic process (GO:0050665), oxidative demethylation (GO:0070989), cellular response to cadmium ion (GO:0071276), omega-hydroxylase P450 pathway (GO:0097267), lipid metabolic process (GO:0006629), fatty acid metabolic process (GO:0006631), steroid metabolic process (GO:0008202), arachidonate metabolic process (GO:0019369), hormone metabolic process (GO:0042445), olefinic compound metabolic process (GO:0120254)

GO Molecular Function (17): monooxygenase activity (GO:0004497), iron ion binding (GO:0005506), steroid hydroxylase activity (GO:0008395), electron transfer activity (GO:0009055), oxidoreductase activity (GO:0016491), 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), enzyme binding (GO:0019899), heme binding (GO:0020037), demethylase activity (GO:0032451), caffeine oxidase activity (GO:0034875), estrogen 16-alpha-hydroxylase activity (GO:0101020), estrogen 2-hydroxylase activity (GO:0101021), hydroperoxy icosatetraenoate dehydratase activity (GO:0106256), protein binding (GO:0005515), oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen (GO:0016705), lyase activity (GO:0016829), metal ion binding (GO:0046872)

GO Cellular Component (5): mitochondrion (GO:0005739), endoplasmic reticulum membrane (GO:0005789), intracellular membrane-bounded organelle (GO:0043231), endoplasmic reticulum (GO:0005783), membrane (GO:0016020)

Reactome top-level categories

Rollup of top-6 pathways:

Category	Pathways
Arachidonate metabolism	2
Phase II - Conjugation of compounds	1
Xenobiotics	1
Biological oxidations	1
Biosynthesis of DHA-derived SPMs	1
Biosynthesis of maresins	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
metabolic process	3
catalytic activity	3
steroid metabolic process	2
hormone metabolic process	2
oxidoreductase activity	2
monooxygenase activity	2
steroid hydroxylase activity	2
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	2
cytoplasm	2
intracellular membrane-bounded organelle	2
lipid catabolic process	1
tetrapyrrole metabolic process	1
cellular response to xenobiotic stimulus	1
sterol metabolic process	1
secondary alcohol metabolic process	1
toxin metabolic process	1
secondary metabolite biosynthetic process	1
secondary metabolic process	1
multicellular organism development	1
multicellular organismal process	1
gene expression	1
regulation of macromolecule biosynthetic process	1
terpenoid metabolic process	1
small molecule metabolic process	1
arachidonate metabolic process	1
respiratory tube development	1
animal organ development	1
respiratory system development	1
carboxylic acid metabolic process	1
xenobiotic metabolic process	1
catabolic process	1
retinoid metabolic process	1
primary alcohol metabolic process	1
olefinic compound metabolic process	1
long-chain fatty acid metabolic process	1
fatty acid biosynthetic process	1
energy derivation by oxidation of organic compounds	1
transition metal ion binding	1
molecular_function	1
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen	1

Protein interactions and networks

STRING

2530 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
CYP1A2	GAPDH	P00354	989
CYP1A2	PPIG	Q13427	951
CYP1A2	B3GAT2	Q9NPZ5	886
CYP1A2	UGT1A10	Q9HAW8	873
CYP1A2	UGT1A6	P19224	872
CYP1A2	UGT1A4	P22310	872
CYP1A2	UGT1A1	P22309	866
CYP1A2	UGT1A8	Q9HAW9	866
CYP1A2	AHR	P35869	865
CYP1A2	UGT1A7	Q9HAW7	863
CYP1A2	CYB5B	O43169	849
CYP1A2	CYB5A	P00167	848
CYP1A2	NR1I2	O75469	813
CYP1A2	POR	P16435	789
CYP1A2	UGT2B4	P06133	775

IntAct

9 interactions, top by confidence:

A	B	Type	Score
ABHD16A	CYP1A2	psi-mi:“MI:0915”(physical association)	0.560
CYP1A2	PGRMC1	psi-mi:“MI:0914”(association)	0.530
CYP1A2	CORO1B	psi-mi:“MI:0915”(physical association)	0.400
UGT2B7	ACTN4	psi-mi:“MI:0914”(association)	0.350
CYP1A2	ABHD16A	psi-mi:“MI:0915”(physical association)	0.000

BioGRID (17): CYP1A2 (FRET), ASAH1 (Affinity Capture-MS), EPHA4 (Affinity Capture-MS), FECH (Affinity Capture-MS), PGRMC1 (Affinity Capture-MS), ABHD16A (Two-hybrid), CORO1B (Proximity Label-MS), PGRMC1 (Affinity Capture-MS), EPHA4 (Affinity Capture-MS), CYP1A2 (Reconstituted Complex), FECH (Affinity Capture-MS), ASAH1 (Affinity Capture-MS), HIF1A (Affinity Capture-Western), CYP1A2 (Affinity Capture-MS), CYP1A2 (Reconstituted Complex)

ESM2 similar proteins: A2A974, F1Q8C3, O35728, O42231, O42430, O42457, O77809, O77810, P00184, P00185, P00186, P00187, P04798, P04799, P05176, P05177, P18125, P24453, P33616, P56590, P56591, P56592, P79716, P79760, P79761, P98181, Q00557, Q06367, Q07217, Q3LFT9, Q3LFU0, Q4H4C3, Q5KQT6, Q5KQT7, Q5RBQ1, Q64391, Q6GUR1, Q6JZS3, Q91WL5, Q92039

Diamond homologs: A0A068A9T2, A0A068AA98, A0A068ACU3, A0A084API1, A0A0C5Q4Y6, A0A0C5QRZ2, A0A0F7U0K0, A0A0P0ZEA9, A0A0S1TPC7, A0A0Y0GRS3, A0A125QZE2, A0A1B4XBH0, A0A1D8QMD1, A0A1L7VEQ6, A0A1L9WQK2, A0A1R3RGJ7, A0A1V1FNM9, A0A2P1DPA5, A0A3S9NM20, A0A411KUQ5, A0A455ZIK8, A0A481WPJ6, A0A517FNC4, A0A831A9C9, A0A8K1AW54, A0AAW1J8D7, A1C8C2, A2R6G9, A8CDR5, B6HFX9, B8NHD9, C0SJS2, C0SJS4, C8V7P3, D1MX85, E9KMQ3, G0KYB2, G1XU01, G3Y420, H2KYS3

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

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

Classification	Count (floor)
Pathogenic	1
Likely pathogenic	0
Uncertain significance	47
Likely benign	6
Benign	3

Top pathogenic / likely-pathogenic (1)

Variant ID	HGVS	Classification
815734	GRCh37/hg19 15q24.1-24.2(chr15:72943184-75567198)x1	Pathogenic

SpliceAI

744 predictions. Top by Δscore:

Variant	Effect	Δscore
15:74749728:A:AG	acceptor_gain	1.0000
15:74749728:AGTT:A	acceptor_gain	1.0000
15:74749729:G:GG	acceptor_gain	1.0000
15:74749729:GTTG:G	acceptor_gain	1.0000
15:74750568:AGGTG:A	donor_loss	1.0000
15:74750570:GTG:G	donor_loss	1.0000
15:74750571:T:G	donor_loss	1.0000
15:74751188:GAACA:G	acceptor_gain	1.0000
15:74751848:GAGC:G	donor_gain	1.0000
15:74751851:C:G	donor_gain	1.0000
15:74752114:T:TA	acceptor_gain	1.0000
15:74752119:TACAG:T	acceptor_loss	1.0000
15:74752121:C:G	acceptor_gain	1.0000
15:74752122:A:AG	acceptor_gain	1.0000
15:74752122:A:C	acceptor_loss	1.0000
15:74752123:G:C	acceptor_loss	1.0000
15:74752123:G:GA	acceptor_gain	1.0000
15:74752123:GA:G	acceptor_gain	1.0000
15:74752123:GAC:G	acceptor_gain	1.0000
15:74752123:GACA:G	acceptor_gain	1.0000
15:74752123:GACAC:G	acceptor_gain	1.0000
15:74752245:CAGG:C	donor_loss	1.0000
15:74753181:CA:C	acceptor_loss	1.0000
15:74753182:A:AC	acceptor_loss	1.0000
15:74753182:A:AG	acceptor_gain	1.0000
15:74753183:G:GC	acceptor_gain	1.0000
15:74753183:GC:G	acceptor_gain	1.0000
15:74753183:GCA:G	acceptor_gain	1.0000
15:74753183:GCAC:G	acceptor_gain	1.0000
15:74753183:GCACA:G	acceptor_gain	1.0000

AlphaMissense

3389 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
15:74754888:T:C	F451L	0.987
15:74754890:T:A	F451L	0.987
15:74754890:T:G	F451L	0.987
15:74751797:A:C	S329R	0.985
15:74751799:C:A	S329R	0.985
15:74751799:C:G	S329R	0.985
15:74754831:T:C	F432L	0.984
15:74754833:C:A	F432L	0.984
15:74754833:C:G	F432L	0.984
15:74751794:T:A	W328R	0.982
15:74751794:T:C	W328R	0.982
15:74750111:T:C	F125L	0.976
15:74750113:C:A	F125L	0.976
15:74750113:C:G	F125L	0.976
15:74752211:G:C	R377P	0.976
15:74750051:T:C	F105L	0.974
15:74750053:C:A	F105L	0.974
15:74750053:C:G	F105L	0.974
15:74754979:T:C	F481S	0.974
15:74750052:T:C	F105S	0.973
15:74752202:A:T	E374V	0.973
15:74754816:T:C	F427L	0.973
15:74754818:C:A	F427L	0.973
15:74754818:C:G	F427L	0.973
15:74753237:T:A	V407D	0.967
15:74752210:C:G	R377G	0.966
15:74750157:C:A	A140D	0.965
15:74750102:A:C	S122R	0.964
15:74750104:C:A	S122R	0.964
15:74750104:C:G	S122R	0.964

dbSNP variants (sampled 300 via entrez): RS1000539344 (15:74751037 G>A,T), RS1001162410 (15:74753008 G>C,T), RS1001244975 (15:74756353 G>A,C), RS1001753001 (15:74749364 G>A,C), RS1001805272 (15:74749647 G>A,T), RS1002036121 (15:74750260 C>T), RS1002088448 (15:74750601 C>A), RS1002092168 (15:74751943 T>C,G), RS1002140840 (15:74750975 T>C), RS1002569182 (15:74751718 C>G,T), RS1002756322 (15:74747869 G>T), RS1003009474 (15:74753748 A>C), RS1003589864 (15:74755469 A>G), RS1003641139 (15:74754127 C>A), RS1005022289 (15:74756722 C>T)

Disease associations

OMIM: gene MIM:124060 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

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

GWAS associations

18 associations (top):

Study	Trait	p-value
GCST000394_3	Diastolic blood pressure	1.000000e-23
GCST000992_1	Coffee consumption	5.000000e-14
GCST001032_3	Caffeine consumption	6.000000e-07
GCST001032_4	Caffeine consumption	3.000000e-07
GCST001032_7	Caffeine consumption	5.000000e-14
GCST001215_1	Coffee consumption	2.000000e-11
GCST002645_1	Bladder cancer	4.000000e-09
GCST002650_6	Coffee consumption (cups per day)	2.000000e-24
GCST002651_2	Coffee consumption	5.000000e-19
GCST004601_128	Red blood cell count	3.000000e-10
GCST004748_1	Lung cancer	2.000000e-07
GCST005988_12	Serum albumin levels	5.000000e-09
GCST006231_65	Mean arterial pressure	2.000000e-15
GCST006586_37	Urinary albumin excretion	5.000000e-22
GCST007685_1	Plasma clozapine levels in treatment-resistant schizophrenia	4.000000e-10
GCST009640_25	Urinary albumin-to-creatinine ratio	2.000000e-32
GCST009801_5	Coffee consumption	2.000000e-09
GCST90002403_493	Red blood cell count	2.000000e-25

EFO canonical traits (9, from GWAS)

EFO ID	Trait name
EFO:0006336	diastolic blood pressure
EFO:0004330	coffee consumption
EFO:0006782	cups of coffee per day measurement
EFO:0004305	erythrocyte count
EFO:0006340	mean arterial pressure
EFO:0004285	albuminuria
EFO:0600038	plasma clozapine measurement
EFO:0007778	urinary albumin to creatinine ratio
EFO:0006781	coffee consumption measurement

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (4): CHEMBL3356 (SINGLE PROTEIN), CHEMBL3544905 (PROTEIN FAMILY), CHEMBL4523986 (PROTEIN FAMILY), CHEMBL6066546 (PROTEIN FAMILY)

Molecules with ChEMBL bioactivity

400 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 429,066 (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
CHEMBL1002	LEVOSALBUTAMOL	4	27,028
CHEMBL1018	DIENESTROL	4	5,607
CHEMBL104	CLOTRIMAZOLE	4	56,325
CHEMBL107	COLCHICINE	4	93,932
CHEMBL1070	NABUMETONE	4	55,063
CHEMBL1086	DIBUCAINE	4	17,231
CHEMBL1089	PHENELZINE	4	18,793
CHEMBL1094	FELBAMATE	4	10,652
CHEMBL1110	ALOSETRON	4	10,794
CHEMBL1113	AMOXAPINE	4	20,128
CHEMBL1123	DICYCLOMINE	4	8,691
CHEMBL1175	DULOXETINE	4	28,527
CHEMBL1180725	PROPANTHELINE	4	5,428
CHEMBL1195	PROPOXYCAINE	4	5,653
CHEMBL1196	PROPARACAINE	4	12,973
CHEMBL1198	PRAMOXINE	4	10,295
CHEMBL1200	BENOXINATE	4	6,712
CHEMBL1200326	NICARDIPINE HYDROCHLORIDE	4	3,903
CHEMBL1200406	DIMENHYDRINATE	4	26,424
CHEMBL1200419	MOLINDONE HYDROCHLORIDE	4	4,907
CHEMBL1200560	GUANABENZ ACETATE	4
CHEMBL1200901	HALOFANTRINE HYDROCHLORIDE	4
CHEMBL1201155	LOXAPINE SUCCINATE	4
CHEMBL1201168	ISOCARBOXAZID	4
CHEMBL1201193	LEVOBUPIVACAINE	4
CHEMBL1201217	DYCLONINE	4
CHEMBL1201236	CARBIDOPA ANHYDROUS	4
CHEMBL1201264	METHANTHELINE	4
CHEMBL1201322	THONZONIUM	4
CHEMBL1206	ETHOPROPAZINE	4

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

PharmGKB clinical annotations

28 annotations.

Variant	Type	Level	Drugs	Phenotypes
CYP1A21, CYP1A28	Metabolism/PK	3	clozapine
rs2069514	Metabolism/PK	3	caffeine
rs2069514	Toxicity	3	opioids	Opioid-Related Disorders
rs2069514	Toxicity	4	antipsychotics	Schizophrenia
rs2069526	Toxicity	3	escitalopram	Major Depressive Disorder
rs2470890	Efficacy	3	paroxetine	Major Depressive Disorder
rs2470890	Metabolism/PK	3	deferasirox	Beta-thalassemia and related diseases
rs2472304	Efficacy	3	paroxetine	Major Depressive Disorder
rs2472304	Metabolism/PK	3	erlotinib
rs4646425	Efficacy	3	paroxetine	Major Depressive Disorder
rs4646425	Toxicity	3	escitalopram	Major Depressive Disorder
rs4646427	Efficacy	3	paroxetine	Major Depressive Disorder
rs4646427	Toxicity	3	escitalopram	Major Depressive Disorder
rs72547516	Metabolism/PK	3	clozapine
rs762551	Toxicity	3	caffeine	Myocardial Infarction
rs762551	Metabolism/PK	3	caffeine
rs762551	Toxicity	3	antipsychotics	Schizophrenia
rs762551	Toxicity	3	clozapine	Schizophrenia;Seizures
rs762551	Toxicity	3	caffeine	Abortion;Spontaneous
rs762551	Toxicity	4	leflunomide	Rheumatoid arthritis
rs762551	Efficacy	3	olanzapine
rs762551	Dosage,Toxicity	3	paroxetine	Major Depressive Disorder
rs762551	Efficacy	3	clopidogrel
rs762551	Metabolism/PK	3	deferasirox	Beta-thalassemia and related diseases
rs762551	Toxicity	3	caffeine	Insomnia
rs762551	Dosage	3	imatinib	Gastrointestinal Stromal Tumors
rs762551	Metabolism/PK	3	clozapine
rs762551	Metabolism/PK	3	carbamazepine

PharmGKB variants

26 variants.

Variant	Genes	Level	Score	#Clin annots	Drugs
rs762551	CYP1A2	3	5.12	14	antipsychotics;caffeine;clopidogrel;paroxetine;imatinib;olanzapine;leflunomide;deferasirox;carbamazepine;clozapine
rs2069514	CYP1A2	3	4.00	3	antipsychotics;caffeine;opioids
rs2069522	CYP1A2		0.00	0
rs2069526	CYP1A2	3	1.50	1	escitalopram
rs2470890	CYP1A2	3	3.00	2	paroxetine;deferasirox
rs2472299	CYP1A2		0.00	0
rs2472300	CYP1A2		0.00	0
rs2472304	CYP1A2	3	2.00	2	paroxetine;erlotinib
rs3743484	CYP1A2		0.00	0
rs4646425	CYP1A2	3	7.00	2	escitalopram;paroxetine
rs4646427	CYP1A2	3	4.50	2	paroxetine;escitalopram
rs11636419	CYP1A2		0.00	0
rs12720461	CYP1A2		0.00	0
rs28399424	CYP1A2		0.00	0
rs35694136	CYP1A2		0.00	0
rs45564134	CYP1A2		0.00	0
rs56107638	CYP1A2		0.00	0
rs56276455	CYP1A2		0.00	0
rs72547513	CYP1A2		0.00	0
rs72547516	CYP1A2	3	0.00	1	clozapine
rs72547517	CYP1A2		0.00	1
rs34067076	CYP1A2		0.00	0
rs59410695	CYP1A2		0.00	0
rs200571120	CYP1A2		0.00	0
rs45468096	CYP1A2		0.00	0
rs566851431	CYP1A2		0.00	0

PharmGKB dosing guidelines

2 guidelines.

Source	Drug	Guideline	Dosing?	Recommendation?
DPWG	clozapine	Annotation of DPWG Guideline for clozapine and CYP1A2
DPWG	olanzapine	Annotation of DPWG Guideline for olanzapine and CYP1A2

GtoPdb / IUPHAR curated pharmacology

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

Target class: enzyme — CYP1 family

Most potent curated ligand interactions (3 total), top 3:

Ligand	Action	Affinity	Parameter
5H78PF	Inhibition	7.85	pIC50
5H3’FPE	Inhibition	6.38	pIC50
polyphyllin H	Competitive	5.5	pKi

Binding affinities (BindingDB)

54 measured of 290 human assays (290 total across all organisms); most potent 50 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value	Patent
(S)-(4-fluorophenyl)-[4-[(5-methylpyrazolidin-3-yl)amino]quinazolin-2-yl]methanol	IC50	1.55 nM	US-9295672: Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof
BAY 59-7939 Analog 18	IC50	4.2 nM	US-8822458: Substituted oxazolidinones and their use in the field of blood coagulation
4-[4-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]anilino]-4-oxobutanoic acid	IC50	20 nM	US-8546392: 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases
3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine	IC50	20 nM	US-20250163068: COMPOUNDS AND THEIR METHODS OF USE
3-[(1S)-2,2-difluorocyclopropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine	IC50	20 nM	US-20250163068: COMPOUNDS AND THEIR METHODS OF USE
6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine	IC50	20 nM	US-20250163068: COMPOUNDS AND THEIR METHODS OF USE
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine	IC50	20 nM	US-20250163068: COMPOUNDS AND THEIR METHODS OF USE
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide	IC50	23 nM	US-8546392: 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases
(R)-(4-fluorophenyl)-[4-[(5-methylpyrazolidin-3-yl)amino]quinazolin-2-yl]methanol	IC50	28 nM	US-9295672: Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof
(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-methylprop-2-enamide	IC50	30 nM	US-8546392: 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases
6-bromo-2-(1-methylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine	IC50	32 nM	US-9447092: Pharmaceutically active compounds
6-chloro-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine	IC50	38 nM	US-9447092: Pharmaceutically active compounds
3-[[4-[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole	IC50	40 nM	US-9447092: Pharmaceutically active compounds
3-[[4-[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole	IC50	52 nM	US-9447092: Pharmaceutically active compounds
1-[3-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile	IC50	65 nM	US-20250163068: COMPOUNDS AND THEIR METHODS OF USE
ethyl (E)-3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]prop-2-enoate	IC50	70 nM	US-8546392: 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases
6-bromo-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine	IC50	300 nM	US-9447092: Pharmaceutically active compounds
(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone	IC50	300 nM	US-12473262: Aryl hydrocarbon receptor activators
US12473262, Compound 638	IC50	300 nM	US-12473262: Aryl hydrocarbon receptor activators
(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-fluorophenyl)methanone	IC50	400 nM	US-12473262: Aryl hydrocarbon receptor activators
2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulfonyl)-1H-indol-3-yl]ethan-1-amine	KI	458 nM
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone	IC50	500 nM	US-12473262: Aryl hydrocarbon receptor activators
5-chloro-2-naphthalen-1-yl-1H-indole	IC50	500 nM	US-12473262: Aryl hydrocarbon receptor activators
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone	IC50	600 nM	US-12473262: Aryl hydrocarbon receptor activators
(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone	IC50	600 nM	US-12473262: Aryl hydrocarbon receptor activators
US12473262, Compound 640	IC50	600 nM	US-12473262: Aryl hydrocarbon receptor activators
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone	IC50	700 nM	US-12473262: Aryl hydrocarbon receptor activators
[2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone	IC50	800 nM	US-12473262: Aryl hydrocarbon receptor activators
6-(3-hydroxyphenyl)-1-(6-methoxy-3-pyridinyl)naphthalen-2-ol	IC50	840 nM	US-8546392: 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-naphthalen-1-ylmethanone	IC50	1200 nM	US-12473262: Aryl hydrocarbon receptor activators
5-chloro-N-formyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide	IC50	1400 nM	US-9359341: Aldehyde derivative of substitute oxazolidinones
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-fluorophenyl)methanone	IC50	1700 nM	US-12473262: Aryl hydrocarbon receptor activators
(4-fluorophenyl)-[4-[(5-methylpyrazolidin-3-yl)amino]quinazolin-2-yl]methanol	KD	1800 nM	US-9295672: Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof
3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione	IC50	2200 nM	US-9688624: DP2 antagonist and uses thereof
methyl 1-(3,4-difluorobenzoyl)-2-naphthalen-1-ylbenzimidazole-5-carboxylate	IC50	2600 nM	US-12473262: Aryl hydrocarbon receptor activators
US20250361240, Example Baxdrostat	IC50	3370 nM	US-20250361240: PYRANOPYRIDINE COMPOUND, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITION AND USE THEREOF
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone	IC50	3900 nM	US-12473262: Aryl hydrocarbon receptor activators
US20250361240, Compound Example 1	IC50	4220 nM	US-20250361240: PYRANOPYRIDINE COMPOUND, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITION AND USE THEREOF
US20250361240, Compound Example 8	IC50	4600 nM	US-20250361240: PYRANOPYRIDINE COMPOUND, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITION AND USE THEREOF
[6-chloro-2-(4-phenylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone	IC50	4700 nM	US-12473262: Aryl hydrocarbon receptor activators
(10S)-4-(1H-indol-4-yl)-6-(4-methylsulfonyloxan-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene	IC50	4900 nM	US-9453031: Chemical entities
N-[(4-chlorophenyl)methyl]-6-fluoro-5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine	IC50	5000 nM	US-9096593: Compounds and methods for kinase modulation, and indications therefor
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-fluoro-N-[(2-methyl-4-pyridinyl)methyl]pyridin-2-amine	IC50	5000 nM	US-9096593: Compounds and methods for kinase modulation, and indications therefor
(5-chloro-2-naphthalen-1-ylindol-1-yl)-cyclopropylmethanone	IC50	7000 nM	US-12473262: Aryl hydrocarbon receptor activators
N-[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide	IC50	7500 nM	US-9617267: Compounds and methods for kinase modulation, and indications therefor
(5,6-dichloro-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone	IC50	8600 nM	US-12473262: Aryl hydrocarbon receptor activators
2-amino-3-cyclohexyl-5,5-bis(4-methoxyphenyl)imidazol-4-one	IC50	12000 nM	US-9353089: Compositions and methods for the treatment of malaria
methyl 3-(3,4-difluorobenzoyl)-2-naphthalen-1-ylbenzimidazole-5-carboxylate	IC50	15100 nM	US-12473262: Aryl hydrocarbon receptor activators
(2S,5S,8S)-14-methoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione	IC50	15400 nM	US-9695174: Inhibitor of breast cancer resistance protein (BCRP)
3-{[(2R)-4-methylmorpholin-2-yl]methoxy}-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide	IC50	18000 nM	US-10202369: 1,3-thiazol-2-yl substituted benzamides

ChEMBL bioactivities

6100 potent at pChembl≥5 of 6100 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
9.90	IC50	0.125	nM	CHEMBL5279681
9.10	AC50	0.7943	nM	CHEMBL276140
9.00	AC50	1	nM	CHEMBL1235001
9.00	AC50	1	nM	CHEMBL443954
8.90	AC50	1.259	nM	PIPERIDOLATE
8.82	IC50	1.5	nM	CHEMBL4447260
8.70	IC50	2	nM	ALPHA-NAPHTHOFLAVONE
8.63	IC50	2.34	nM	ALPHA-NAPHTHOFLAVONE
8.62	IC50	2.4	nM	CHEMBL6191423
8.60	AC50	2.512	nM	CHEMBL1079195
8.57	IC50	2.7	nM	CHEMBL1223034
8.52	IC50	3	nM	TRISMETHOXYRESVERATROL
8.50	AC50	3.162	nM	CHEMBL1172911
8.42	IC50	3.8	nM	ALPHA-NAPHTHOFLAVONE
8.40	AC50	3.981	nM	CHEMBL297784
8.39	IC50	4.1	nM	CHEMBL4456952
8.31	IC50	4.9	nM	PHENACETIN
8.30	IC50	5	nM	PHENACETIN
8.30	AC50	5.012	nM	CHEMBL1742271
8.30	AC50	5.012	nM	CHEMBL1524497
8.25	IC50	5.57	nM	ALPHA-NAPHTHOFLAVONE
8.22	IC50	6	nM	ALPHA-NAPHTHOFLAVONE
8.22	Ki	6	nM	CHEMBL4282750
8.20	AC50	6.31	nM	CHEMBL1571749
8.20	AC50	6.31	nM	CHEMBL1562229
8.20	AC50	6.31	nM	CHEMBL1441011
8.20	AC50	6.31	nM	CHEMBL1538008
8.20	AC50	6.31	nM	CHEMBL1741552
8.20	AC50	6.31	nM	CHEMBL1722356
8.20	AC50	6.31	nM	CHEMBL1419628
8.20	AC50	6.31	nM	CHEMBL1460951
8.20	AC50	6.31	nM	CHEMBL1370314
8.18	IC50	6.6	nM	ALPHA-NAPHTHOFLAVONE
8.15	IC50	7	nM	PYRENE
8.15	IC50	7	nM	ALPHA-NAPHTHOFLAVONE
8.15	IC50	7	nM	CHEMBL112532
8.12	IC50	7.67	nM	ALPHA-NAPHTHOFLAVONE
8.10	AC50	7.943	nM	CHEMBL1362657
8.10	AC50	7.943	nM	CHEMBL1413161
8.10	AC50	7.943	nM	CHEMBL1520998
8.08	IC50	8.33	nM	ALPHA-NAPHTHOFLAVONE
8.05	IC50	9	nM	CHEMBL512079
8.01	IC50	9.7	nM	CHEMBL6190503
8.00	IC50	10	nM	CHEMBL4282750
8.00	IC50	10	nM	CHEMBL1650645
8.00	AC50	10	nM	CHEMBL1741836
8.00	AC50	10	nM	CHEMBL1348869
8.00	AC50	10	nM	CHEMBL1709113
8.00	AC50	10	nM	CHEMBL1329194
8.00	AC50	10	nM	CHEMBL1734583

PubChem BioAssay actives

897 with measured affinity, of 6100 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
N-(4-imidazol-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine	1936830: Inhibition of recombinant human CYP1A2 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay	ic50	0.0001	uM
1-[2-[3-methoxy-5-[(E)-2-thiophen-2-ylethenyl]phenoxy]ethyl]imidazole	1533284: Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyresorufin O-de-ethylation preincubated for 3 mins followed by NADPH addition and measured after 10 mins by fluorometric method	ic50	0.0015	uM
2-phenylbenzo[h]chromen-4-one	1781975: Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis	ic50	0.0020	uM
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-5-tert-butyl-1,3,4-thiadiazole	501823: Inhibition of CYP1A2 in human liver microsomes after 30 mins	ic50	0.0027	uM
6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one	2112578: Inhibition of CYP1A2 (unknown origin)	ic50	0.0041	uM
N-(4-ethoxyphenyl)acetamide	1884501: Inhibition of CYP1A2 in human liver microsomes incubated for 15 to 40 mins in presence of NADPH	ic50	0.0049	uM
7-methoxy-8-phenylfuro[3,2-h]chromen-6-one	1411740: Inhibition of human recombinant CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	ki	0.0060	uM
1-(4-butoxyphenyl)imidazole	54212: Concentration required to inhibit cytochrome P450 1A2.	ic50	0.0070	uM
pyrene	311074: Inhibition of CYP1A2	ic50	0.0070	uM
[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine	352909: Inhibition of human recombinant CYP1A2	ic50	0.0090	uM
6-(3-hydroxyphenyl)-1-pyridin-3-ylnaphthalen-2-ol	566787: Inhibition of human CYP1A2	ic50	0.0100	uM
2-(4-chlorophenyl)benzo[h]chromen-4-one	1581702: Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 mins by fluorometry	ic50	0.0106	uM
2-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]thiophene	311074: Inhibition of CYP1A2	ic50	0.0110	uM
(1R,2S,5S,8R,9R,10S,11R,18R)-10,18-dihydroxy-12,12-dimethyl-6-methylidene-9-(1,3-thiazol-5-ylmethoxy)-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-14-en-7-one	2072303: Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate preincubated for 5 min followed by NADPH addition and measured after 20 mins	ic50	0.0115	uM
2-(4-fluorophenyl)benzo[h]chromen-4-one	1581702: Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 mins by fluorometry	ic50	0.0121	uM
1-phenyl-4-prop-1-ynylbenzene	589215: Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-methoxyresorufin O-demethylation (MROD)	ki	0.0130	uM
5-methylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide	54209: Inhibition of heterologously expressed human cytochrome P450 1A2	ic50	0.0130	uM
6,7,10-trimethoxy-2-(2-methoxyphenyl)benzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0135	uM
N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine	1936830: Inhibition of recombinant human CYP1A2 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay	ic50	0.0135	uM
2-(4-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0154	uM
6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0161	uM
6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0164	uM
2-(2-fluorophenyl)benzo[h]chromen-4-one	1581702: Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 mins by fluorometry	ic50	0.0180	uM
4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one	254884: Concentration required to inhibit Cytochrome P450 1A2 in vitro by 50%	ic50	0.0180	uM
2-(3,4-dimethoxyphenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0193	uM
5-methoxy-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide	54210: Inhibition of heterologously expressed human cytochrome P450 1A2.	ic50	0.0200	uM
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide	2014496: Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins in presence of substrate followed by NADPH addition and measured after 10 mins by LC/MS analysis	ic50	0.0200	uM
2-(2-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0221	uM
2-pyridin-3-ylbenzo[h]chromen-4-one	1581702: Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 mins by fluorometry	ic50	0.0232	uM
6,7,10-trimethoxy-2-(3,4,5-trimethoxyphenyl)benzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0235	uM
2-(3-fluorophenyl)-3-hydroxy-6,7,10-trimethoxybenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0265	uM
2-(4-chlorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0277	uM
(E)-3-(3,5-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one	1368051: Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence assay	ic50	0.0280	uM
2-(3,4-difluorophenyl)benzo[h]chromen-4-one	1581702: Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 mins by fluorometry	ic50	0.0286	uM
18,19-dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one	54216: Inhibition of Cytochrome P450 1A2 enzyme in bacterial membrane expressing human P450s	ic50	0.0290	uM
6,7,10-trimethoxy-2-(1,3-thiazol-4-yl)benzo[h]chromen-4-one	1727622: Inhibition of recombinant human CYP1A2 using 7-ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assay	ic50	0.0292	uM
2-(2-fluorophenyl)-3-hydroxy-6,7,10-trimethoxybenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0294	uM
8-methyl-2-phenylfuro[2,3-h]chromen-4-one	1239149: Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenerating solution	ki	0.0300	uM
3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one	290572: Inhibition of CYP1A2 in microsomes	ic50	0.0300	uM
3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,15,17,19-nonaen-14-one	54216: Inhibition of Cytochrome P450 1A2 enzyme in bacterial membrane expressing human P450s	ic50	0.0300	uM
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one	1411740: Inhibition of human recombinant CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	ki	0.0310	uM
4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine	1936830: Inhibition of recombinant human CYP1A2 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay	ic50	0.0316	uM
8-imidazol-1-yl-5,6,7,8-tetrahydroquinoline	2022035: Inhibition of CYP450 (unknown origin)	ic50	0.0335	uM
7-(4-methyl-3-pyridinyl)-3-phenylpyrazolo[1,5-a]pyridine	1921665: Inhibition of CYP1A2 (unknown origin)	ic50	0.0340	uM
[5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine	352909: Inhibition of human recombinant CYP1A2	ic50	0.0340	uM
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0344	uM
2-(4-propa-1,2-dienylcyclohexyl)benzo[h]chromen-4-one	1515296: Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate after 30 mins in presence of NADPH by EROD assay	ic50	0.0364	uM
2-pyridin-4-ylbenzo[h]chromen-4-one	1581702: Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 mins by fluorometry	ic50	0.0364	uM
2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203558: Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0367	uM
2-cyclopropyl-1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone	2065594: Inhibition of CYP1A2 (unknown origin)	ic50	0.0370	uM

CTD chemical–gene interactions

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

Chemical	Actions (top 5)	PubMed papers
Tetrachlorodibenzodioxin	affects response to substance, affects cotreatment, affects binding, increases activity, increases expression (+5 more)	67
Phenacetin	increases metabolic processing, increases reaction, decreases activity, affects metabolic processing, increases chemical synthesis (+7 more)	39
Benzo(a)pyrene	increases metabolic processing, increases hydrolysis, increases mutagenesis, increases response to substance, decreases reaction (+9 more)	32
furafylline	decreases reaction, increases hydroxylation, decreases hydroxylation, affects reaction, increases chemical synthesis (+5 more)	26
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine	affects cotreatment, increases expression, increases mutagenesis, affects metabolic processing, increases hydroxylation (+7 more)	25
Omeprazole	affects response to substance, increases expression, decreases activity, increases activity, decreases alkylation	24
beta-Naphthoflavone	increases activity, affects metabolic processing, increases reaction, decreases activity, increases expression (+2 more)	24
Caffeine	increases reaction, decreases activity, decreases methylation, decreases reaction, affects binding (+3 more)	20
Methylcholanthrene	affects response to substance, increases expression, affects cotreatment, decreases reaction, increases activity (+1 more)	20
alpha-naphthoflavone	decreases activity, decreases reaction, increases metabolic processing, increases activity, decreases metabolic processing (+3 more)	16
Acetaminophen	increases oxidation, increases response to substance, increases expression, decreases ethylation, increases chemical synthesis (+4 more)	15
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline	affects cotreatment, increases expression, decreases reaction, affects metabolic processing, increases response to substance (+6 more)	14
Aflatoxin B1	increases metabolic processing, increases chemical synthesis, decreases expression, increases expression, affects binding (+6 more)	14
Theophylline	affects response to substance, affects hydroxylation, decreases reaction, increases reaction, decreases activity (+5 more)	13
Clozapine	increases activity, affects metabolic processing, affects response to substance, decreases metabolic processing, decreases response to substance (+7 more)	12
2-amino-3,4-dimethylimidazo(4,5-f)quinoline	affects metabolic processing, affects binding, affects cotreatment, increases response to substance, increases activity (+3 more)	11
Resveratrol	increases reaction, affects cotreatment, decreases expression, increases expression, affects metabolic processing (+4 more)	11
Quercetin	affects activity, decreases reaction, increases reaction, affects cotreatment, decreases activity (+4 more)	11
Fluvoxamine	decreases chemical synthesis, decreases metabolic processing, affects binding, affects metabolic processing, increases response to substance (+4 more)	10
2-amino-3-methylimidazo(4,5-f)quinoline	affects metabolic processing, affects cotreatment, increases response to substance, increases activity, increases hydroxylation (+2 more)	9
Chlorpyrifos	decreases expression, increases expression, affects metabolic processing, decreases reaction, increases chemical synthesis (+2 more)	9
1,2,5,6-dibenzanthracene	affects cotreatment, increases metabolic processing, increases expression, decreases reaction, affects expression (+4 more)	7
Plant Extracts	decreases reaction, increases expression, decreases activity, increases activity, affects cotreatment (+1 more)	7
2-amino-9H-pyrido(2,3-b)indole	affects binding, increases activity, increases metabolic processing, increases response to substance, decreases activity (+5 more)	6
sodium arsenite	increases abundance, decreases activity, decreases expression, increases methylation, affects cotreatment (+3 more)	6
Chlorpromazine	decreases response to substance, increases oxidation, affects response to substance, increases metabolic processing, affects cotreatment (+4 more)	6
Estradiol	decreases reaction, increases metabolic processing, increases hydroxylation, affects binding, affects cotreatment (+3 more)	6
Melatonin	increases hydroxylation, increases metabolic processing, decreases reaction, increases hydrolysis, decreases activity (+2 more)	6
Phenobarbital	increases expression, decreases activity, decreases reaction, increases activity	6
Primaquine	affects metabolic processing, affects response to substance, increases expression, increases metabolic processing, increases activity	6

ChEMBL screening assays

2805 unique, capped per target: 2748 admet, 55 binding, 1 functional, 1 toxicity

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1000510	ADMET	Inhibition of human recombinant CYP1A2 expressed in insect microsomes	Discovery of (R)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxamide (BMS-694153): a potent antagonist of the human calcitonin gene-related peptide receptor for migraine with rapid and efficient intranasal exposure. — J Med Chem
CHEMBL1678446	Binding	Inhibition of human CYP1A2	Discovery, synthesis, and structure-activity relationship development of a series of N-(4-acetamido)phenylpicolinamides as positive allosteric modulators of metabotropic glutamate receptor 4 (mGlu(4)) with CNS exposure in rats. — J Med Chem
CHEMBL1741322	Functional	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	PubChem BioAssay data set

Cellosaurus cell lines

23 cell lines: 15 spontaneously immortalized cell line, 7 transformed cell line, 1 cancer cell line

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

Cellosaurus	Name	Category	Sex
CVCL_4V39	V79MZh1A2	Spontaneously immortalized cell line	Male
CVCL_4V40	V79NHh1A2	Spontaneously immortalized cell line	Male
CVCL_5332	MCL-5	Transformed cell line	Male
CVCL_A2GY	V79MZh1A2/hSULT1A1	Spontaneously immortalized cell line	Male
CVCL_A2GZ	V79MZh1A2/hNAT1	Spontaneously immortalized cell line	Male
CVCL_A2HA	V79MZh1A2/hNAT2	Spontaneously immortalized cell line	Male
CVCL_B5VW	Hepc/1A2.9	Cancer cell line	Male
CVCL_D1GN	CHO-CPR/CYP1A2 C9	Spontaneously immortalized cell line	Female
CVCL_D1GR	CHO-CYP1A2 C2	Spontaneously immortalized cell line	Female
CVCL_E7AK	AHH-1 TK+/- h1A2v2	Transformed cell line	Male

Clinical trials (associated diseases)

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