Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S8MJ
|
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| Former ID |
DNC008689
|
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| Drug Name |
NSC-356781
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C19H15N5O2
|
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| Canonical SMILES |
C1=CC=NC(=C1)C2=NC3=C(N2CCC4=CC=NC=C4)C=CC(=C3)[N+](=O)<br />[O-]
|
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| InChI |
1S/C19H15N5O2/c25-24(26)15-4-5-18-17(13-15)22-19(16-3-1-2-9-21-16)23(18)12-8-14-6-10-20-11-7-14/h1-7,9-11,13H,8,12H2
|
||||
| InChIKey |
DPWNICJBRRYQIR-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 | J 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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