Molecule Details
| InChIKey | CDFSITIHQOZSIN-ZXRKZBAXSA-N |
|---|---|
| Compound Name | 1-{4'-[(S)-1-((S)-1-{[(S)-Cyano-(4-cyano-2-fluoro-benzyl)-methyl]-carbamoyl}-2-methyl-propylamino)-2,2,2-trifluoro-ethyl]-biphenyl-4-yl}-cyclopropanecarboxylic acid amide |
| Canonical SMILES | CC(C)[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F)C(=O)N[C@H](C#N)Cc1ccc(C#N)cc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9UBX1 | CTSF | Homo sapiens | Human | PF08246 PF00112 | 7.8 | IC50 | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.4 | IC50 | ChEMBL;BindingDB |
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 7.1 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.0 | IC50 | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 6.4 | IC50 | ChEMBL;BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 9.7 | IC50 | ChEMBL;BindingDB |