Molecule Details
| InChIKey | BPIZQAAUSWBFNS-KRWDZBQOSA-N |
|---|---|
| Compound Name | 3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide |
| Canonical SMILES | Cc1nnc(-c2cccc(C[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)C(=O)NCC#N)c2)o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.7 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.3 | IC50 | ChEMBL |
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 8.2 | IC50 | ChEMBL |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.2 | IC50 | ChEMBL |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.1 | IC50 | ChEMBL |