Molecule Details
| InChIKey | YBJLQBOUQXKRET-YQQAZPJKSA-N |
|---|---|
| Compound Name | [(1R,3S)-3-[3-[[2-(2-methylsulfonylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate |
| Canonical SMILES | CC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3S(C)(=O)=O)n[nH]2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.99 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 9.6 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 9.6 | Ki | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.0 | Ki | BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.6 | Ki | BindingDB |