Drug General Information
Drug ID	D07JOZ
Former ID	DNC009341
Drug Name	1,1':4',1''-terphenyl-3,3''-diol
Synonyms	[1,1':4',1'']Terphenyl-3,3''-diol
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530450]
Structure		Download 2D MOL 3D MOL
Formula	C18H13FO2
Canonical SMILES	C1=CC(=CC(=C1)O)C2=CC=C(C=C2)C3=CC(=C(C=C3)O)F
InChI	1S/C18H13FO2/c19-17-11-15(8-9-18(17)21)13-6-4-12(5-7-13)14-2-1-3-16(20)10-14/h1-11,20-21H
InChIKey	JNOWDEFWQPRYLB-UHFFFAOYSA-N
PubChem Compound ID	44542195
Target and Pathway
Target(s)	Cytochrome P450 3A4	Target Info	Inhibitor	[529748]
	Estradiol 17 beta-dehydrogenase 1	Target Info	Inhibitor	[530450]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis I
KEGG Pathway	Steroid hormone biosynthesis
	Linoleic acid metabolism
	Retinol metabolism
	Metabolism of xenobiotics by cytochrome P450
	Drug metabolism - cytochrome P450
	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	Xenobiotics
	Aflatoxin activation and detoxificationR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)
WikiPathways	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 MetabolismWP496:Steroid Biosynthesis
	Metabolism of steroid hormones and vitamin D
	Prostate Cancer
References
Ref 530450	J 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 529748	J 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 530450	J 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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