Molecule Details
| InChIKey | HGSCTPUCDDAAQZ-OIDHKYIRSA-N |
|---|---|
| Compound Name | 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(N-methylsulfonylanilino)benzamide |
| Canonical SMILES | CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(C2CCCC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5Z0 | BACE2 | Homo sapiens | Human | PF00026 | 7.4 | IC50 | ChEMBL;BindingDB |
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 6.7 | IC50 | ChEMBL;BindingDB |
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL;BindingDB |