Molecule Details
| InChIKey | WHNDEIMPFCLXJS-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[2-(3-Morpholin-4-yl-ureido)-1-naphthalen-2-ylmethyl-2-oxo-ethyl]-2-[(E)-2-(naphthalene-2-sulfonyl)-vinylamino]-4-phenyl-butyramide |
| Canonical SMILES | O=C(NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1)NN1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.66 |
| Source | BindingDB |
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 | BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.7 | Ki | BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.8 | Ki | BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 7.3 | Ki | BindingDB |