CHEMBL458224


SMILES COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIKey FGADYIBOWLXZLA-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 344.2

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
A2A AA2AR Rat Adenosine A pKi 7.32 7.32 7.32 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A3 AA3R Human Adenosine A pKi 7.72 7.72 7.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.82 8.07 8.33 ChEMBL
A1 AA1R Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.07 7.07 7.07 ChEMBL