Molecule Details
| InChIKey | ICOAPDOBTUNNPQ-WDSOQIARSA-N |
|---|---|
| Canonical SMILES | C[C@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.14 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.1 | pIC50 | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.1 | pIC50 | TTD_MultiTarget |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.1 | pIC50 | TTD_MultiTarget |