Molecule Details
| InChIKey | MQRWKSMRQVMZEN-STQMWFEESA-N |
|---|---|
| Compound Name | (2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(1-cyanocyclopropyl)-3-(methylsulfanyl)propanamide |
| Canonical SMILES | CSC[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.03 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 8.3 | IC50 | ChEMBL |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.1 | IC50 | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.4 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.3 | IC50 | ChEMBL;BindingDB |