CHEMBL3290999


SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1
InChIKey LGFPFBZHAODPHC-LJAQVGFWSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 521.2

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
β2 ADRB2 Human Adrenoceptors A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 9.4 9.65 9.9 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.1 8.1 8.1 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 7.9 7.9 7.9 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 8.7 8.7 8.7 ChEMBL