Molecule Details
| InChIKey | BTIHMVBBUGXLCJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine |
| Canonical SMILES | CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.62 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.3 | pIC50 | TTD_MultiTarget |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |