Molecule Details
| InChIKey | MSSWEISDYNQLGE-DOTOQJQBSA-N |
|---|---|
| Compound Name | US11673893, Example 85 |
| Canonical SMILES | CC1(C)COCc2nc3c(F)cc(-c4cc(NC(=O)[C@H]5CCC[C@@H](NC(=O)CC#N)C5)ncc4Cl)cc3n21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.6 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |