Molecule Details
| InChIKey | UTPYURSIXIVBEJ-IFMALSPDSA-N |
|---|---|
| Compound Name | 1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiperidin-2-yl)cyclopropyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate |
| Canonical SMILES | CC[C@@H]1CCC[C@H](C2(OC(=O)N3CCN(C(C)(C)CO)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 8.2 | IC50 | ChEMBL |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 8.2 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 8.2 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 8.2 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 8.2 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 8.2 | IC50 | ChEMBL |
| P05067 | APP | Homo sapiens | Human | PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 | 8.1 | IC50 | ChEMBL;BindingDB |