Molecule Details
InChIKeyPWZLUGHNDYWEDU-QHCPKHFHSA-N
Compound Name(S)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
Canonical SMILESCc1cc([C@]2(c3cccc(C#CC4CC4)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.37
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 7.8 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 7.3 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 7.0 IC50 ChEMBL;BindingDB