Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U6NJ
|
|||
| Former ID |
DNC007303
|
|||
| Drug Name |
4-(2-(1H-imidazol-1-yl)ethoxy)-2H-chromen-2-one
|
|||
| Synonyms |
CHEMBL225178; 2H-1-Benzopyran-2-one, 4-[2-(1H-imidazol-1-yl)ethoxy]-; 828265-57-2; Coumarin deriv. 22; BDBM9473; CTK3D6006; DTXSID60462004
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C14H12N2O3
|
|||
| Canonical SMILES |
C1=CC=C2C(=C1)C(=CC(=O)O2)OCCN3C=CN=C3
|
|||
| InChI |
1S/C14H12N2O3/c17-14-9-13(11-3-1-2-4-12(11)19-14)18-8-7-16-6-5-15-10-16/h1-6,9-10H,7-8H2
|
|||
| InChIKey |
MXJNKMWQNZHBOE-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 828265-57-2
|
|||
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.