CHEMBL1257915


SMILES OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1
InChIKey VPFPAAWUHMKSMF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 478.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.94 6.94 6.94 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 7.64 7.64 7.64 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 8.18 8.18 8.18 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 8.0 8.0 8.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.91 6.91 6.91 ChEMBL