Drug Information

Drug General Information
Drug ID
D04QPK
Former ID
DNC004700
Drug Name
3-[4-Fluoro-indan-(1E)-ylidenemethyl]-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527456]
Structure
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2D MOL

3D MOL
Formula
C15H12FN
Canonical SMILES
C1CC2=C(C1=CC3=CN=CC=C3)C=CC=C2F
InChI
1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
InChIKey
JKDSUQNXZNYUED-FMIVXFBMSA-N
PubChem Compound ID
6539783
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527456]
Cytochrome P450 19 Target Info Inhibitor [527456]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Reactome Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-211976:Endogenous sterols
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Corticotropin-releasing hormoneWP702:Metapathway biotransformation
Tryptophan metabolism
Ovarian Infertility Genes
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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