Molecule Details
InChIKeyZCGQKZSNOODCBF-HKBQPEDESA-O
Compound Namepropan-2-yl 4-[[(2S)-1-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-1-yl]ethylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
Canonical SMILESCC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.09
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P20309 CHRM3 Homo sapiens Human PF00001 7.5 IC50 ChEMBL;BindingDB
P08172 CHRM2 Homo sapiens Human PF00001 7.1 IC50 ChEMBL;BindingDB
P11229 CHRM1 Homo sapiens Human PF00001 6.7 IC50 ChEMBL;BindingDB