Drug Information

Drug General Information
Drug ID
D01RZP
Former ID
DNC010000
Drug Name
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530450]
Formula
C17H14O2S
Canonical SMILES
CC1=C(C=CC(=C1)C2=CSC(=C2)C3=CC(=CC=C3)O)O
InChI
1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
InChIKey
STFVOGWUKNAWOF-UHFFFAOYSA-N
PubChem Compound ID
25192621
Target and Pathway
Target(s) Cytochrome P450 2D6 Target Info Inhibitor [530450]
Cytochrome P450 3A4 Target Info Inhibitor [530450]
Estradiol 17 beta-dehydrogenase 1 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
Linoleic acid metabolism
Retinol metabolism
Drug metabolism - other enzymes
Metabolic pathways
Bile secretion
Chemical carcinogenesishsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Caffeine Metabolism
Retinol MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome XenobioticsR-HSA-211981:Xenobiotics
Aflatoxin activation and detoxificationR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)
WikiPathways Metapathway biotransformation
Tamoxifen metabolism
Oxidation by Cytochrome P450
Vitamin D Receptor Pathway
Aripiprazole Metabolic Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP702: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 MetabolismWP496:Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate Cancer
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.