CHEMBL5550055


SMILES O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)NCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@@H]1CN2CCC1CC2
InChIKey WEHMQBKOLANBES-HIERITDVSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 15
Molecular weight (Da) 745.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 10.0 10.0 10.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 10.9 10.9 10.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Guinea pig Adrenoceptors A pIC50 9.8 9.8 9.8 ChEMBL