CHEMBL11431


SMILES COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC
InChIKey MMKNLRVPXCJHQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 513.1

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 B0FL73 Guinea pig Adrenoceptors A pKd 8.3 8.3 8.3 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKd 4.7 4.7 4.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database