CHEMBL2024116


SMILES Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIKey NEYZTILMBRSITP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 295.1

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
A2B AA2BR Human Adenosine A pKi 6.8 7.0 7.19 ChEMBL
A2A AA2AR Human Adenosine A pKd 8.0 8.0 8.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.81 8.29 8.77 ChEMBL
A1 AA1R Human Adenosine A pKi 6.4 6.6 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pIC50 7.01 7.51 8.01 ChEMBL
A2A AA2AR Human Adenosine A pIC50 6.84 7.98 9.1 ChEMBL