CHEMBL1258371


SMILES OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1
InChIKey DTOCXHSGGVEJTC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 490.2

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
β3 ADRB3 Human Adrenoceptors A pKi 7.31 7.31 7.31 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.46 4.46 4.46 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.58 7.58 7.58 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.16 7.16 7.16 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.61 6.61 6.61 ChEMBL