Drug Information

Drug General Information
Drug ID
D06AZC
Former ID
DNC008688
Drug Name
NSC-131736
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Structure
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2D MOL

3D MOL
Formula
C17H14N2O4
Canonical SMILES
COC1=CC=C2C(=CNC=C2C1=O)CC3=CC(=CC=C3)[N+](=O)[O-]
InChI
1S/C17H14N2O4/c1-23-16-6-5-14-12(9-18-10-15(14)17(16)20)7-11-3-2-4-13(8-11)19(21)22/h2-6,8-10,18H,7H2,1H3
InChIKey
VODRLJZQXMYKNZ-UHFFFAOYSA-N
PubChem Compound ID
280264
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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