[3H]L748337


SMILES CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O
InChIKey AWIONHVPTYTSHZ-DEOSSOPVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 497.2

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 8.7 8.7 8.7 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKd 8.17 8.17 8.17 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.47 6.47 6.47 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.92 8.13 8.35 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.05 6.23 6.42 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 4.63 4.81 5.0 ChEMBL