Molecule Details
| InChIKey | VHDAHAMWVNXMSP-DCAQKATOSA-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) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.24 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.2 | IC50 | BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.9 | IC50 | BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.5 | IC50 | BindingDB |
| P09668 | CTSH | Homo sapiens | Human | PF08246 PF00112 | 6.7 | IC50 | BindingDB |
| P53634 | CTSC | Homo sapiens | Human | PF08773 PF00112 | 6.1 | IC50 | BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 8.0 | IC50 | BindingDB |
| Q8IIL0 | FP3 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF08246 PF00112 | 6.3 | IC50 | BindingDB |