Molecule Details
| InChIKey | KHXWGZGVODXABJ-ARNLJNQMSA-N |
|---|---|
| Compound Name | (3aR,6aS)-N-[(1S)-1-(4-benzoyl-6-oxo-hexahydropyrrolo[3,2-c]pyrazole-1-carbonyl)-3-methylbutyl]-4-tert-butylbenzamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| 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 | 8.5 | Ki | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 6.4 | Ki | ChEMBL;BindingDB |
| P36400 | LMCPB | Leishmania mexicana | Pathogen | PF12131 PF08246 PF00112 | 7.3 | Ki | ChEMBL;BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 7.0 | Ki | ChEMBL;BindingDB |