Drug General Information
Drug ID
D0L6HY
Former ID
DNC008634
Drug Name
1-(Bis-biphenyl-4-yl-methyl)-1H-imidazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529625]
Structure
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2D MOL

3D MOL

Formula
C28H22N2
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)N5<br />C=CN=C5
InChI
1S/C28H22N2/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)28(30-20-19-29-21-30)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21,28H
InChIKey
CKRNCVRILASGRW-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [529625]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Prolactin signaling pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Steroidogenesis
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Steroid Biosynthesis
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compounds
References
Ref 529625Bioorg Med Chem. 2008 Aug 15;16(16):7715-27. Epub 2008 Jul 9.Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17)--part II: Core rigidification and influence of substituents at the methylene bridge.
Ref 529625Bioorg Med Chem. 2008 Aug 15;16(16):7715-27. Epub 2008 Jul 9.Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17)--part II: Core rigidification and influence of substituents at the methylene bridge.

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