CHEMBL1083994


SMILES Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1
InChIKey LTIGBEPXXOGOFS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 500.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 6.39 6.39 6.39 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 6.42 6.42 6.42 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 5.83 5.83 5.83 ChEMBL