Molecule Details
InChIKeyMGPRPDLGSONHLQ-SBUREZEXSA-N
Canonical SMILESCc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)ncc1F
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL7.69
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P56817 BACE1 Homo sapiens Human PF00026 9.2 Ki ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.2 IC50 ChEMBL;BindingDB