CHEMBL1258824


SMILES NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1
InChIKey GQRHTJLEIISGKP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 518.2

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
β3 ADRB3 Human Adrenoceptors A pKi 7.43 7.43 7.43 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.59 5.59 5.59 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 6.82 6.82 6.82 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.96 6.96 6.96 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.89 5.89 5.89 ChEMBL