Molecule Details
InChIKeyUDROXIDKAFGJQP-ACAMQMCKSA-N
Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate
Canonical SMILESCc1nc(COC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)c(C)o1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.59
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 9.9 Ki ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.5 Ki ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.3 Ki ChEMBL;BindingDB