Molecule Details
| InChIKey | SZYYBVWPURUFRR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Cruzain-IN-1 |
| Canonical SMILES | CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(C#N)nc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.8 | IC50 | ChEMBL |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.6 | IC50 | ChEMBL |
| P53634 | CTSC | Homo sapiens | Human | PF08773 PF00112 | 7.5 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.9 | IC50 | ChEMBL |
| P09668 | CTSH | Homo sapiens | Human | PF08246 PF00112 | 6.9 | IC50 | ChEMBL |
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 6.6 | IC50 | ChEMBL |
| Q9UBR2 | CTSZ | Homo sapiens | Human | PF00112 | 6.0 | IC50 | ChEMBL;BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 8.8 | IC50 | ChEMBL;BindingDB |