Molecule Details
| InChIKey | AAYPLLWGPJQWCC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[4-[4-[(3-chlorophenyl)amino]-1,3,5-triazin-2-yl]-2-pyridinyl]amino]-1-Propanol |
| Canonical SMILES | OCCCNc1cc(-c2ncnc(Nc3cccc(Cl)c3)n2)ccn1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.54 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 8.5 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.2 | pIC50 | TTD_MultiTarget |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.2 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.9 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |