Molecule Details
| InChIKey | OSUGJHDCNKZEDV-ZDUSSCGKSA-N |
|---|---|
| Compound Name | 3-tert-butyl-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)NC1(C#N)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 8.3 | Ki | ChEMBL |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.9 | Ki | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.1 | Ki | ChEMBL |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 7.6 | Ki | ChEMBL;BindingDB |