Molecule Details
| InChIKey | PCJKSKCBOVMYIJ-AXSJAOQOSA-N |
|---|---|
| Compound Name | (2S)-N-[(2S)-1-(morpholin-4-ylcarbamoylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-[[(E)-2-naphthalen-2-ylsulfonylethenyl]amino]-4-phenylbutanamide |
| Canonical SMILES | O=C(NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccc2ccccc2c1)NN1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.66 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.7 | Ki | ChEMBL |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.8 | Ki | ChEMBL |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.8 | Ki | ChEMBL |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 7.3 | Ki | ChEMBL |