CHEMBL5564549


SMILES C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCCc2ccc(OC[C@@H](O)CNC(C)C)cc2)nn1
InChIKey NPRMKSXBLKNJPG-CONSDPRKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 22
Molecular weight (Da) 579.4

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 9.19 9.19 9.19 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.37 9.37 9.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 8.35 8.35 8.35 ChEMBL