Drug Information

Drug General Information
Drug ID
D0K3CE
Former ID
DNC005621
Drug Name
4-[6-Methoxy-indan-(1E)-ylidenemethyl]-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527456]
Structure
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2D MOL

3D MOL
Formula
C16H15NO
Canonical SMILES
COC1=CC2=C(CCC2=CC3=CC=NC=C3)C=C1
InChI
1S/C16H15NO/c1-18-15-5-4-13-2-3-14(16(13)11-15)10-12-6-8-17-9-7-12/h4-11H,2-3H2,1H3/b14-10+
InChIKey
VFFWGGPPTWJBON-GXDHUFHOSA-N
PubChem Compound ID
6539800
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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