Drug Information

Drug General Information
Drug ID
D08IIW
Former ID
DNC010798
Drug Name
MR-16089
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530867]
Structure
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2D MOL

3D MOL
Formula
C20H13F3N2O2
Canonical SMILES
C1=CC(=CN=C1)C=C2C(N3C=CC=C3C2=O)C4=CC=C(C=C4)OC(F)(F)F
InChI
1S/C20H13F3N2O2/c21-20(22,23)27-15-7-5-14(6-8-15)18-16(11-13-3-1-9-24-12-13)19(26)17-4-2-10-25(17)18/h1-12,18H/b16-11-
InChIKey
NUADOLYUKJMRKY-WJDWOHSUSA-N
PubChem Compound ID
46887422
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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