Molecule Details
| InChIKey | MOIBHLHUAXJLCW-JOCHJYFZSA-N |
|---|---|
| Compound Name | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide |
| Canonical SMILES | CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.62 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 8.3 | IC50 | BindingDB |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 8.2 | IC50 | BindingDB |
| Q9NYY3 | PLK2 | Homo sapiens | Human | PF00069 PF00659 | 7.9 | IC50 | BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.9 | IC50 | ChEMBL;BindingDB |
| P21675 | TAF1 | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 6.8 | IC50 | ChEMBL;BindingDB |