Molecule Details
| InChIKey | DXLLSNZJTDGBRA-VUOWKATKSA-N |
|---|---|
| Compound Name | ethyl (E,5S)-7-methyl-5-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-4-oxooct-2-enoate |
| Canonical SMILES | CCOC(=O)/C=C/C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.94 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.0 | IC50 | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 7.0 | IC50 | ChEMBL;BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 6.7 | IC50 | ChEMBL;BindingDB |