CHEMBL4465141


SMILES O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12)c1cccc2ccccc12
InChIKey HLZSMXZRSBTUPC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 513.2

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
A2B AA2BR Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
A3 AA3R Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
A1 AA1R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database