Molecule Details
| InChIKey | GXDULIFEODNFQZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-tert-butyl-N-[1-(cyanomethylamino)-3-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide |
| Canonical SMILES | COCc1nnc(-c2cccc(CC(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 | 7.78 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 8.7 | IC50 | BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.4 | IC50 | BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.1 | IC50 | BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 6.9 | IC50 | BindingDB |