Molecule Details
InChIKeyXKJHWFAMUVWRDJ-NMXAJACMSA-N
Compound Namepropan-2-yl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]benzoate
Canonical SMILESCC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.13
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 8.3 IC50 ChEMBL;BindingDB
P08172 CHRM2 Homo sapiens Human PF00001 7.1 IC50 ChEMBL;BindingDB
P11229 CHRM1 Homo sapiens Human PF00001 6.0 IC50 ChEMBL;BindingDB