Molecule Details
| InChIKey | YXMQIWJYPNBZJS-QFIPXVFZSA-N |
|---|---|
| Compound Name | Ethyl (9s)-9-[3-(1h-Benzimidazol-2-Yloxy)phenyl]-8-Oxo-4,5,6,7,8,9-Hexahydro-2h-Pyrrolo[3,4-B]quinoline-3-Carboxylate |
| Canonical SMILES | CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.37 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | Ki | ChEMBL;BindingDB |