L 755507


SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O
InChIKey NYYJKMXNVNFOFQ-MHZLTWQESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 17
Molecular weight (Da) 584.3

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
β1 ADRB1 Human Adrenoceptors A pKi 6.24 6.24 6.24 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 10.1 10.1 10.1 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pEC50 9.0 9.3 9.37 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 6.7 6.7 6.7 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.48 6.48 6.48 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.7 7.7 7.7 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.52 6.12 6.72 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL