CHEMBL5557954


SMILES C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCCc2ccccc2)nn1
InChIKey BQFHLQVMYGAKOM-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 16
Molecular weight (Da) 448.3

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 8.89 8.89 8.89 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 8.33 8.33 8.33 ChEMBL