Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0M4CX
|
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| Former ID |
DNC009931
|
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| Drug Name |
NSC-613604
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H13ClN4O3
|
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| Canonical SMILES |
CC1=NC2=C(C=C1C#N)C(OC3=C2C=C(C=C3)[N+](=O)[O-])NC4=CC=<br />C(C=C4)Cl
|
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| InChI |
1S/C20H13ClN4O3/c1-11-12(10-22)8-17-19(23-11)16-9-15(25(26)27)6-7-18(16)28-20(17)24-14-4-2-13(21)3-5-14/h2-9,20,24H,1H3
|
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| InChIKey |
DAHDDFCIAFXETP-UHFFFAOYSA-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 | Eur J Med Chem. 2009 Oct;44(10):4121-7. Epub 2009 May 19.An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors. | ||||
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