CHEMBL11427


SMILES COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(N)=O)c[nH]3)cc2)cc1OC
InChIKey YVKCFYLIBBWRFL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 440.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 B0FL73 Guinea pig Adrenoceptors A pKd 7.51 7.51 7.51 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKd 4.39 4.39 4.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database