Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0S8MJ
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| Former ID |
DNC008689
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| Drug Name |
NSC-356781
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| Synonyms |
NSC-356781; CHEMBL523232; 80477-85-6; NSC356781; AC1L7MCE; DTXSID10320246; 5-nitro-2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole; ZINC13211782; BDBM50265463; 5-nitro-2-(pyridin-2-yl)-1-(2-(pyridin-4-yl)ethyl)-1H-benzo[d]imidazole; 5-nitro-2-(pyridin-2-yl)-1-(2-(pyridin-4-yl) ethyl)-1H-benzo[d]imidazole
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H15N5O2
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| Canonical SMILES |
C1=CC=NC(=C1)C2=NC3=C(N2CCC4=CC=NC=C4)C=CC(=C3)[N+](=O)[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
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| InChIKey |
DPWNICJBRRYQIR-UHFFFAOYSA-N
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| CAS Number |
CAS 80477-85-6
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50. | |||
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