Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08UQH
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| Former ID |
DNC010995
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| Drug Name |
2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethanone
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| Synonyms |
37910-79-5; n-(4-nitrophenacyl)imidazole; CHEMBL162549; 2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethanone; Ethanone, 2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)-; AC1Q5DPC; 2-imidazol-1-yl-1-(4-nitrophenyl)ethanone; AC1Q1XG1; SCHEMBL5730977; AC1L1F83; CTK1A9243; DTXSID00275594; BDBM50240895; ZINC19595447; AKOS009984680; 2-Imidazol-1-yl-1-(4-nitro-phenyl)-ethanone; I90114; alpha-(1H-Imidazole-1-yl)-4'-nitroacetophenone; 2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)-ethanone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C11H9N3O3
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| Canonical SMILES |
C1=CC(=CC=C1C(=O)CN2C=CN=C2)[N+](=O)[O-]
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| InChI |
1S/C11H9N3O3/c15-11(7-13-6-5-12-8-13)9-1-3-10(4-2-9)14(16)17/h1-6,8H,7H2
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| InChIKey |
SBPGWXSTCFNGPY-UHFFFAOYSA-N
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| CAS Number |
CAS 37910-79-5
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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 | Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66. | |||
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