CHEMBL20555


SMILES CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C
InChIKey HVOOLKXFKGSNFT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 447.2

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 7.43 7.54 7.64 ChEMBL
A3 AA3R Human Adenosine A pKi 7.85 7.95 8.05 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.68 7.74 7.8 ChEMBL
A1 AA1R Human Adenosine A pKi 6.82 6.91 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.35 7.35 7.35 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.21 7.21 7.21 ChEMBL