Molecule Details
InChIKeyZTFBNTHPVBDCAM-BHSUFKTOSA-N
Compound Name(1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(2-oxopyrrolidin-1-yl)propan-2-yl)cyclohexanecarboxamide
Canonical SMILESCC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@H](C(C)(C)N3CCCC3=O)C2)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.5
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P56817 BACE1 Homo sapiens Human PF00026 7.2 IC50 ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.2 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.0 IC50 ChEMBL;BindingDB