CHEMBL142926


SMILES COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(-c4ccco4)nn23)cc1
InChIKey AISZDPKOHKVRLJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 458.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.24 7.24 7.24 ChEMBL
A3 AA3R Human Adenosine A pKi 4.4 6.8 7.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.99 5.99 5.99 ChEMBL
A1 AA1R Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database