Drug Information

Drug General Information
Drug ID
D04REX
Former ID
DNC005628
Drug Name
5-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyrimidine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527456]
Formula
C14H11FN2
Canonical SMILES
C1CC(=CC2=CN=CN=C2)C3=C1C=C(C=C3)F
InChI
1S/C14H11FN2/c15-13-3-4-14-11(1-2-12(14)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2/b11-5-
InChIKey
LEJPKWXGQFBXRX-WZUFQYTHSA-N
PubChem Compound ID
6539808
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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