Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M0FE
|
|||
| Former ID |
DNC010801
|
|||
| Drug Name |
N-[2-(4'-Nitrophenyl)ethyl]-imidazole
|
|||
| Synonyms |
1-(4-nitrophenethyl)-1H-imidazole; 56643-91-5; 1-[2-(4-nitrophenyl)ethyl]-1H-imidazole; CHEMBL1098425; 1H-Imidazole, 1-[2-(4-nitrophenyl)ethyl]-; 1-[2-(4-nitrophenyl)ethyl]imidazole; AC1MOACC; MLS001195428; SCHEMBL9663626; CTK1F4146; DTXSID30391397; MolPort-002-886-896; HCPMKJOVCNZGSD-UHFFFAOYSA-N; HMS2885O15; ZINC4025449; BDBM50318407; AKOS010189447; MCULE-3977633271; MS-1973; KS-0000281S; SMR000550723; N-[2-(4''-Nitrophenyl)ethyl]-imidazole; SR-01000308458
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C11H11N3O2
|
|||
| Canonical SMILES |
C1=CC(=CC=C1CCN2C=CN=C2)[N+](=O)[O-]
|
|||
| InChI |
1S/C11H11N3O2/c15-14(16)11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
|
|||
| InChIKey |
HCPMKJOVCNZGSD-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 56643-91-5
|
|||
| 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 | Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.