Drug Information

Drug General Information
Drug ID
D0V1UY
Former ID
DNC003921
Drug Name
CGS-18320B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530867]
Structure
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2D MOL

3D MOL
Formula
C18H12N4
Canonical SMILES
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=CN=C3
InChI
1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H
InChIKey
NRXVWQIGPASRKU-UHFFFAOYSA-N
PubChem Compound ID
133966
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [530867]
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 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).

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