Drug Information

Drug General Information
Drug ID
D0HR9S
Former ID
DNC008690
Drug Name
NSC-683634
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Formula
C20H14ClN3O
Canonical SMILES
C1=CC(=CN=C1)C2=C(NC(=C3C=CC(=O)C=C3)N2)C4=CC=C(C=C4)Cl
InChI
1S/C20H14ClN3O/c21-16-7-3-13(4-8-16)18-19(15-2-1-11-22-12-15)24-20(23-18)14-5-9-17(25)10-6-14/h1-12,23-24H
InChIKey
LJDTXPCEHYGNJX-UHFFFAOYSA-N
PubChem Compound ID
5466282
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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