Molecule Details
| InChIKey | GMUXXTCOBZDVFS-DJCCSWQUSA-N |
|---|---|
| Compound Name | (2S)-2-[[(2S)-2-[[(E)-2-(benzenesulfonyl)ethenyl]amino]-4-phenylbutanoyl]amino]-4-methyl-N-(morpholin-4-ylcarbamoyl)pentanamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.92 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.2 | Ki | ChEMBL |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 6.6 | Ki | ChEMBL |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.1 | Ki | ChEMBL |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 6.7 | Ki | ChEMBL |