Molecule Details
| InChIKey | PUZNQYGJYZGRFA-BYAIKGAQSA-N |
|---|---|
| Compound Name | (2S)-1-[3-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]-2-[[(1R)-4-fluorosulfonyloxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidine |
| Canonical SMILES | CN[C@@H](C)C(=O)NC(Cc1cc(C)c(C(F)(F)F)cc1F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13490 | BIRC2 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.6 | IC50 | ChEMBL;BindingDB |
| P98170 | XIAP | Homo sapiens | Human | PF00653 PF21290 PF13920 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.4 | IC50 | ChEMBL;BindingDB |