Drug General Information
Drug ID
D0M4CX
Former ID
DNC009931
Drug Name
NSC-613604
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530190]
Structure
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2D MOL

3D MOL

Formula
C20H13ClN4O3
Canonical SMILES
CC1=NC2=C(C=C1C#N)C(OC3=C2C=C(C=C3)[N+](=O)[O-])NC4=CC=<br />C(C=C4)Cl
InChI
1S/C20H13ClN4O3/c1-11-12(10-22)8-17-19(23-11)16-9-15(25(26)27)6-7-18(16)28-20(17)24-14-4-2-13(21)3-5-14/h2-9,20,24H,1H3
InChIKey
DAHDDFCIAFXETP-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [530190]
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 530190Eur J Med Chem. 2009 Oct;44(10):4121-7. Epub 2009 May 19.An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors.
Ref 530190Eur J Med Chem. 2009 Oct;44(10):4121-7. Epub 2009 May 19.An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors.

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