Drug Information

Drug General Information
Drug ID
D0S8MJ
Former ID
DNC008689
Drug Name
NSC-356781
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Structure
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2D MOL

3D MOL
Formula
C19H15N5O2
Canonical SMILES
C1=CC=NC(=C1)C2=NC3=C(N2CCC4=CC=NC=C4)C=CC(=C3)[N+](=O)<br />[O-]
InChI
1S/C19H15N5O2/c25-24(26)15-4-5-18-17(13-15)22-19(16-3-1-2-9-21-16)23(18)12-8-14-6-10-20-11-7-14/h1-7,9-11,13H,8,12H2
InChIKey
DPWNICJBRRYQIR-UHFFFAOYSA-N
PubChem Compound ID
337743
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529860]
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 529860J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.
Ref 529860J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.

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