CHEMBL1257916


SMILES Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1
InChIKey JJOCETMXNTXDBF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 494.2

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 7.12 7.12 7.12 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.22 6.22 6.22 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.51 8.51 8.51 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.2 8.2 8.2 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.52 5.52 5.52 ChEMBL