Molecule Details
| InChIKey | ZZDKLZGEJYCCFB-INIZCTEOSA-N |
|---|---|
| Compound Name | 3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide |
| Canonical SMILES | Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(-c2nnc(CO)o2)c1)C(=O)NCC#N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.2 | IC50 | ChEMBL |
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 8.1 | IC50 | ChEMBL |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.2 | IC50 | ChEMBL |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.0 | IC50 | ChEMBL |