Molecule Details
| InChIKey | VNPRUYSKXQAITL-YTEAUVLASA-N |
|---|---|
| Compound Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[5-[[2-[4-[1-[4-benzoyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl-(4-chlorophenyl)sulfonylamino]-2,5-difluorophenoxy]acetyl]amino]pentyl]pentanamide |
| Canonical SMILES | CC(c1ccc(C(=O)c2ccccc2)cc1OCCCN1CCCC1)N(c1cc(F)c(OCC(=O)NCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1F)S(=O)(=O)c1ccc(Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 8.0 | IC50 | ChEMBL;BindingDB |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 8.0 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 8.0 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 8.0 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 8.0 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 8.0 | IC50 | ChEMBL |