CHEMBL2113484


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey UBRRRMDHTZACMR-NVQRDWNXSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 385.2

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
A1 AA1R Rat Adenosine A pKi 7.64 7.78 7.92 ChEMBL
A3 AA3R Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.69 5.69 5.69 ChEMBL
A1 AA1R Human Adenosine A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 4.69 4.69 4.69 ChEMBL