Molecule Details
| InChIKey | ZDEBEWQYXJZQRS-YVGXBJCXSA-N |
|---|---|
| Compound Name | Shp2/cdk4-IN-1 |
| Canonical SMILES | Cc1nc2c(F)cc(-c3nc(Nc4nccc(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)c4Cl)ncc3F)cc2n1C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q06124 | PTPN11 | Homo sapiens | Human | PF00017 PF00102 | 8.4 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.3 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 6.2 | IC50 | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.0 | IC50 | ChEMBL |