CHEMBL1258706


SMILES Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1
InChIKey MJAPJSPPUBJLHZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 400.2

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 5.86 5.86 5.86 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.25 5.25 5.25 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.48 7.48 7.48 ChEMBL