CHEMBL142428


SMILES COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC
InChIKey MKRDKFSQEPQZSX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 363.1

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 B0FL73 Guinea pig Adrenoceptors A pKi 7.01 7.01 7.01 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.43 7.43 7.43 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.06 8.06 8.06 PDSP Ki database
β2 ADRB2 Guinea pig Adrenoceptors A pKi 7.24 7.56 7.89 PDSP Ki database
β1 H0W3H1 Guinea pig Adrenoceptors A pKi 7.01 7.01 7.01 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database