BATEFENTEROL


SMILES COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChIKey URWYQGVSPQJGGB-DHUJRADRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 13
Molecular weight (Da) 739.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.7 8.7 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 8.8 8.8 8.8 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.01 6.01 6.01 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.97 9.06 9.6 ChEMBL