CHEMBL1258026


SMILES Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1
InChIKey CWZMHDVAIXMPTQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 482.1

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 7.12 7.12 7.12 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.89 6.89 6.89 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.55 7.55 7.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 9.0 9.0 9.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.74 8.74 8.74 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.49 6.49 6.49 ChEMBL