CHEMBL135719


SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey ZWOVBVVGJSVBEE-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 7.52 7.52 7.52 ChEMBL
A3 AA3R Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
A1 AA1R Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.75 6.75 6.75 ChEMBL