Drug Information

Drug General Information
Drug ID
D08ARY
Former ID
DNC008682
Drug Name
NSC-368272
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Structure
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2D MOL

3D MOL
Formula
C18H14N2O5
Canonical SMILES
C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3O)OCO4)N5C=CN=C5
InChI
1S/C18H14N2O5/c21-13-7-17-16(24-10-25-17)6-12(13)18(20-4-3-19-8-20)11-1-2-14-15(5-11)23-9-22-14/h1-8,18,21H,9-10H2
InChIKey
SADZUGZPRKRGTC-UHFFFAOYSA-N
PubChem Compound ID
339906
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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