CHEMBL5562658


SMILES C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCCc2ccc(OC)cc2)nn1
InChIKey ZTACOYRSTJHHES-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 17
Molecular weight (Da) 478.3

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
β2 ADRB2 Human Adrenoceptors A pKi 8.78 8.78 8.78 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.95 8.95 8.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 8.27 8.27 8.27 ChEMBL