Molecule Details
| InChIKey | JTAYJCHBIVXQJF-VEXUSMLFSA-N |
|---|---|
| Compound Name | 3-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-[[(1R,2R)-1-cyano-2-phenylmethoxypropyl]amino]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide |
| Canonical SMILES | C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(C(C)(C)C)nn1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.1 | Ki | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 6.5 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.3 | Ki | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 6.0 | Ki | ChEMBL;BindingDB |