Molecule Details
| InChIKey | RVKNONNXSNALJV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-Acetyl-7-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-4-morpholin-4-ylchromen-2-one |
| Canonical SMILES | CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(-c4ccc5nn(C)c(C(C)C)c5c4)n3)cc2oc1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 9.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 9.2 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.8 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.8 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 8.3 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 8.1 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 8.1 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL |
| P24863 | CCNC | Homo sapiens | Human | PF16899 PF00134 | 7.7 | IC50 | ChEMBL;BindingDB |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.5 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| O94921 | CDK14 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q8ND76 | CCNY | Homo sapiens | Human | PF00134 | 7.1 | IC50 | ChEMBL;BindingDB |