Drug Information

Drug General Information
Drug ID
D03MKT
Former ID
DNC004707
Drug Name
4-[5-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
C1CC(=CC2=CC=NC=C2)C3=C1C=C(C=C3)F
InChI
1S/C15H12FN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+
InChIKey
KVRYTKBSTLSXKC-FMIVXFBMSA-N
PubChem Compound ID
6539788
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [527456]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527456]
Cytochrome P450 19 Target Info Inhibitor [527456]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
SteroidogenesisPW000141:SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-194002:Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-211976: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 compoundsWP702:Metapathway biotransformation
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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