CHEMBL1090461


SMILES Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1
InChIKey NSOPBBBAYUYNKP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 428.1

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
A3 AA3R Human Adenosine A pKi 9.21 9.21 9.21 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.62 4.62 4.62 ChEMBL
A1 AA1R Human Adenosine A pKi 4.63 4.63 4.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database