Molecule Details
| InChIKey | LJZGCVPFHDAQAO-QFIPXVFZSA-N |
|---|---|
| Compound Name | N-[(2S)-3-(3-bromophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-4-phenylbenzamide |
| Canonical SMILES | N#CCNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.8 | Ki | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 6.8 | Ki | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.2 | Ki | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 6.0 | Ki | ChEMBL;BindingDB |