CHEMBL304726


SMILES C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey DQQUXSVJOCRLLI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 430.2

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 5.69 5.69 5.69 ChEMBL
A3 AA3R Human Adenosine A pKi 6.32 8.57 9.32 ChEMBL
A3 AA3R Human Adenosine A pKd 9.09 9.09 9.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.75 6.75 6.75 ChEMBL
A1 AA1R Human Adenosine A pKi 5.82 5.82 5.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.29 8.29 8.29 ChEMBL