Drug Information

Drug General Information
Drug ID
D0Y2RL
Former ID
DNC010002
Drug Name
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530450]
Formula
C17H14O2S
Canonical SMILES
CC1=C(C=CC(=C1)C2=CC=C(S2)C3=CC(=CC=C3)O)O
InChI
1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3
InChIKey
ICDRVGLMFQWTDX-UHFFFAOYSA-N
PubChem Compound ID
25192475
Target and Pathway
Target(s) Cytochrome P450 2D6 Target Info Inhibitor [530450]
Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [530450]
Cytochrome P450 3A4 Target Info Inhibitor [530450]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Serotonergic synapsehsa00140:Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Drug metabolism - other enzymes
Bile secretion
Chemical carcinogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000015:Caffeine Metabolism
Retinol Metabolism
Reactome XenobioticsR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)R-HSA-211981:Xenobiotics
Aflatoxin activation and detoxification
WikiPathways Metapathway biotransformation
Tamoxifen metabolism
Oxidation by Cytochrome P450
Vitamin D Receptor Pathway
Aripiprazole Metabolic Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP496:Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate CancerWP702:Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tryptophan metabolism
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Codeine and Morphine Metabolism
References
Ref 530450J Med Chem. 2009 Nov 12;52(21):6724-43.New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity.
Ref 530450J Med Chem. 2009 Nov 12;52(21):6724-43.New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity.

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