Molecule Details
| InChIKey | OMDLVUGUASZVGG-IZZNHLLZSA-N |
|---|---|
| Compound Name | 1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-difluorophenyl)piperidin-2-yl)cyclopropyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate |
| Canonical SMILES | CC(C)(CO)N1CCN(C(=O)OC2([C@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 8.4 | IC50 | ChEMBL |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 8.4 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 8.4 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 8.4 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 8.4 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 8.4 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL;BindingDB |