CHEMBL5505925


SMILES O=C(c1ccc(OCc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)N1CCC(C(=O)O[C@@H]2CN3CCC2CC3)(c2ccccc2)CC1
InChIKey CXLIQVUREFRFQX-IOLBBIBUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 756.4

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 9.6 9.6 9.6 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Guinea pig Adrenoceptors A pIC50 9.3 9.3 9.3 ChEMBL