Molecule Details
| InChIKey | NWJPNEPAUOWBDK-NUDXDXSLSA-N |
|---|---|
| Compound Name | (2R)-1-[(2S)-4-amino-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide |
| Canonical SMILES | CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2c(F)cccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.35 |
| 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 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.2 | IC50 | ChEMBL;BindingDB |
| P98170 | XIAP | Homo sapiens | Human | PF00653 PF21290 PF13920 | 7.0 | IC50 | ChEMBL;BindingDB |