Drug Information

Drug General Information
Drug ID
D0Y0CT
Former ID
DNC005635
Drug Name
3-[3-Phenyl-indan-(1E)-ylidenemethyl]-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527456]
Formula
C21H17N
Canonical SMILES
C1C(C2=CC=CC=C2C1=CC3=CN=CC=C3)C4=CC=CC=C4
InChI
1S/C21H17N/c1-2-8-17(9-3-1)21-14-18(13-16-7-6-12-22-15-16)19-10-4-5-11-20(19)21/h1-13,15,21H,14H2/b18-13+
InChIKey
ADQBWRCDKUIPFI-QGOAFFKASA-N
PubChem Compound ID
6539819
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [527456]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
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 Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 527456J Med Chem. 2005 Mar 10;48(5):1563-75.Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase.
Ref 527456J Med Chem. 2005 Mar 10;48(5):1563-75.Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase.

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