Molecule Details
| InChIKey | RHJLQMVZXQKJKB-FPHSVDBKSA-N |
|---|---|
| Compound Name | K-777 |
| Canonical SMILES | CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17760 |
|---|---|
| Drug Name | K-777 |
| CAS Number | 502960-90-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Essential Amino Acids, Peptides, and Proteins Benzene Derivatives Sulfones Sulfur Compounds
Cross-references: CHEMBL91704 ChemSpider: 8026829 ZINC: ZINC000055865535
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.6 | IC50 | ChEMBL |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.0 | Ki | ChEMBL |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.4 | Ki | ChEMBL |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 8.4 | IC50 | ChEMBL | |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 7.7 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P25779 | Cruzipain | inhibitor | targets |