Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D08IIW
|
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| Former ID |
DNC010798
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| Drug Name |
MR-16089
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H13F3N2O2
|
||||
| Canonical SMILES |
C1=CC(=CN=C1)C=C2C(N3C=CC=C3C2=O)C4=CC=C(C=C4)OC(F)(F)F
|
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| 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
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 19 | Target Info | Inhibitor | [1] | |
| 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 1 | Bioorg 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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