CHEMBL4290021


SMILES CNc1ncc(C(=O)OC(c2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12
InChIKey JPJGTQKFWIRNKU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 425.1

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
A3 AA3R Human Adenosine A pKi 8.7 8.7 8.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
A1 AA1R Human Adenosine A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database