CHEMBL307647


SMILES COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I
InChIKey OIXLSYRKUYDFOB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 526.9

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 6.14 6.14 6.14 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.83 5.83 5.83 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 6.11 6.11 6.11 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.7 8.7 8.7 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 6.1 6.1 6.1 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 7.25 7.25 7.25 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.0 9.0 9.0 ChEMBL