Molecule Details
| InChIKey | RHJLQMVZXQKJKB-JDXGNMNLSA-N |
|---|---|
| Compound Name | 4-Methyl-N-[(1S)-2-oxo-2-[[(1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl]amino]-1-(phenylmethyl)ethyl]-1-piperazinecarboxamide |
| Canonical SMILES | CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=CS(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.86 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 9.2 | IC50 | BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.5 | Ki | BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.4 | Ki | BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 8.4 | IC50 | BindingDB | |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 7.7 | IC50 | BindingDB |