Drug Information

Drug General Information
Drug ID
D0J8LU
Former ID
DNC009995
Drug Name
4-Methyl-1,1':4',1''-terphenyl-3,4''-diol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530450]
Structure
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2D MOL

3D MOL
Formula
C19H16O2
Canonical SMILES
CC1=C(C=CC(=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)O)O
InChI
1S/C19H16O2/c1-13-11-17(9-10-19(13)21)15-7-5-14(6-8-15)16-3-2-4-18(20)12-16/h2-12,20-21H,1H3
InChIKey
NXOBKCKXSAATAY-UHFFFAOYSA-N
PubChem Compound ID
44543257
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [530450]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome The canonical retinoid cycle in rods (twilight vision)
WikiPathways 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.

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