CHEMBL515992


SMILES CC(=O)Nc1cc(N2CCCC2=O)nc(-n2nc(C)cc2C)n1
InChIKey XKIKFDDSMFZYHX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 314.1

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
A2A AA2AR Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.0 6.0 6.0 ChEMBL