Molecule Details
| InChIKey | ITWHOUBMQIJNKR-CQSZACIVSA-N |
|---|---|
| Compound Name | (R)-2-(9-Isopropyl-6-(pyridin-3-ylmethylamino)-9H-purin-2-ylamino)butan-1-ol |
| Canonical SMILES | CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.7 | IC50 | ChEMBL;BindingDB |