Molecule Details
| InChIKey | VHDAHAMWVNXMSP-HBNTYKKESA-N |
|---|---|
| Canonical SMILES | [C][C]([C])[C][C@H]([N]C(=O)[C@@H]1O[C@H]1C([O])=O)C(=O)[N][C][C][C][C]N=C([N])[N] |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.93 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 8.8 | Ki | BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 8.4 | IC50 | BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 7.5 | IC50 | BindingDB | |
| Q8IIL0 | FP3 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF08246 PF00112 | 6.9 | IC50 | BindingDB |