Molecule Details
InChIKeyULGBSRGDBHJMRG-IOWSJCHKSA-N
Compound Name(4S)-4-[(1R)-1-hydroxy-2-[[1-(3-propan-2-ylphenyl)cyclopropyl]amino]ethyl]-19-(methoxymethyl)-11,16-dioxa-3,18-diazatricyclo[15.3.1.16,10]docosa-1(20),6(22),7,9,17(21),18-hexaen-2-one
Canonical SMILESCOCc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.17
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07339 CTSD Homo sapiens Human PF07966 PF00026 8.5 IC50 ChEMBL;BindingDB
P14091 CTSE Homo sapiens Human PF07966 PF00026 8.3 IC50 ChEMBL;BindingDB
P56817 BACE1 Homo sapiens Human PF00026 7.7 IC50 ChEMBL;BindingDB