CHEMBL5174052


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey VENBOXOEVOUMJD-CPIJZORTSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 505.1

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
A1 AA1R Rat Adenosine A pKi 6.94 6.94 6.94 ChEMBL
A1 AA1R Rat Adenosine A pKd 7.42 7.42 7.42 ChEMBL
A1 AA1R Human Adenosine A pKi 6.37 7.24 8.09 ChEMBL
A1 AA1R Human Adenosine A pKd 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.63 4.63 4.63 ChEMBL
A1 AA1R Human Adenosine A pEC50 10.0 10.0 10.0 ChEMBL