Molecule Details
| InChIKey | HDAJDNHIBCDLQF-VWLOTQADSA-N |
|---|---|
| Compound Name | (3S)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide |
| Canonical SMILES | O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)[C@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.5 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27361 | MAPK3 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | BindingDB |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.9 | IC50 | BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 6.7 | IC50 | BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | BindingDB |
| P46734 | MAP2K3 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | BindingDB |
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 6.5 | IC50 | BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.3 | IC50 | BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | BindingDB |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | IC50 | BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 6.2 | IC50 | BindingDB |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 6.0 | IC50 | BindingDB |