Molecule Details
InChIKeyRRHAZHLISKDKSA-QEOYOADQSA-N
Compound Name1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide
Canonical SMILESCc1nc(C(C)NC(=O)c2cc(C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NC(C)C)C(C)C)cc(N(C)S(C)(=O)=O)c2)c(C)o1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.76
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 7.6 Ki ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.4 Ki ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.3 Ki ChEMBL;BindingDB