Drug General Information
Drug ID
D00YNA
Former ID
DNC009344
Drug Name
3,3-(1,3-Thiazole-2,5-diyl)diphenol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529748]
Structure
Download
2D MOL

3D MOL

Formula
C15H11NO2S
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CN=C(S2)C3=CC(=CC=C3)O
InChI
1S/C15H11NO2S/c17-12-5-1-3-10(7-12)14-9-16-15(19-14)11-4-2-6-13(18)8-11/h1-9,17-18H
InChIKey
OYFRXCWZMBHNHW-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [529748]
Cytochrome P450 3A4 Target Info Inhibitor [529748]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
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 The canonical retinoid cycle in rods (twilight vision)R-HSA-211981:Xenobiotics
Aflatoxin activation and detoxification
WikiPathways Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate CancerWP702:Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Vitamin D Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine Metabolism
References
Ref 529748J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).
Ref 529748J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).

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