CHEMBL5195631


SMILES Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c21
InChIKey NITRYQLITNTCTJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 315.1

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 pKd 7.26 7.26 7.26 ChEMBL
A3 AA3R Human Adenosine A pKi 7.89 7.89 7.89 ChEMBL
A1 AA1R Human Adenosine A pKi 7.34 7.63 7.95 ChEMBL
A1 AA1R Human Adenosine A pKd 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.8 7.8 7.8 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.15 7.15 7.15 ChEMBL