Molecule Details
InChIKeyWWLARDYNKWZLHG-QIHGRTJTSA-N
Compound Name[(1S)-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[2-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-oxo-1-phenylethyl]amino]methyl]thiophene-2-carboxylate
Canonical SMILESCOc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OC3C[C@H]4CC[C@H](C3)N4C)c3ccccc3)s2)cc1OC
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL9.15
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P20309 CHRM3 Homo sapiens Human PF00001 9.3 Ki ChEMBL;BindingDB
Q07343 PDE4B Homo sapiens Human PF18100 PF00233 9.0 IC50 ChEMBL;BindingDB