CHEMBL5430355


SMILES CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1
InChIKey DXDWVNUSAKQPCN-QHCPKHFHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 459.2

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
β3 ADRB3 Human Adrenoceptors A pKd 6.16 6.16 6.16 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.59 6.59 6.59 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 5.52 5.52 5.52 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.52 6.52 6.52 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 6.95 6.95 6.95 ChEMBL