Molecule Details
| InChIKey | KEBXAEFZLCNLJJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | cyclohexylmethyl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amine |
| Canonical SMILES | c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.4 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.2 | Ki | ChEMBL |
| O00311 | CDC7 | Homo sapiens | Human | PF00069 | 8.1 | Ki | ChEMBL |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 7.7 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 6.5 | Ki | ChEMBL |