CGS 24012


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCC(c1ccccc1C)c1cc(OC)cc(c1)OC
InChIKey BUHVIAUBTBOHAG-FOYDDCNASA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 521.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 6.4 6.4 6.4 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 6.73 6.92 7.19 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.42 7.53 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Guinea pig Adenosine A pEC50 5.25 5.25 5.25 ChEMBL