Drug Information

Drug General Information
Drug ID
D00ZPJ
Former ID
DNC008687
Drug Name
NSC-12999
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Formula
C19H14ClN3O
Canonical SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CN=CC=C4.Cl
InChI
1S/C19H14ClN3O.ClH/c1-24-14-5-7-17-16(10-14)19(22-13-3-2-8-21-11-13)15-6-4-12(20)9-18(15)23-17;/h2-11H,1H3,(H,22,23);1H
InChIKey
XKQHXSHCGDTEOW-UHFFFAOYSA-N
PubChem Compound ID
408350
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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