Molecule Details
| InChIKey | KMVBIPSQSSTTCJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | US11472791, Example 29 |
| Canonical SMILES | CNCc1ccc(-n2cc(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3C(F)(F)F)cn2)c(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.68 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 9.3 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 8.0 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.5 | IC50 | ChEMBL |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 7.5 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.4 | IC50 | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |