Molecule Details
| InChIKey | WJRRGYBTGDJBFX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine |
| Canonical SMILES | Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.2 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.2 | pIC50 | TTD_MultiTarget |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.8 | IC50 | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.7 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.3 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 6.1 | Kd | ChEMBL |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.1 | Kd | ChEMBL |