Molecule Details
| InChIKey | CEAYRKIZESVQSN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(3-Hydroxypropyl)-2-[(3-Nitrobenzoyl)amino]-1h-Benzimidazol-5-Yl Pivalate |
| Canonical SMILES | CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08590 |
|---|---|
| Drug Name | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50040726 CHEMBL1236126 ChemSpider: 10160361 PDB: T12 PubChem:11987888 PubChem:99445061
Target Activities (4)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9NWZ3 | IRAK4 | Interleukin-1 receptor-associated kinase 4 | binder | targets |