CHEMBL332091


SMILES Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1
InChIKey KHRCLUNNZRRZTF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 375.1

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
A2A AA2AR Rat Adenosine A pKi 7.01 7.01 7.01 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.65 6.65 6.65 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.6 6.65 6.7 ChEMBL
A3 AA3R Human Adenosine A pKi 10.34 10.67 11.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.96 7.08 7.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.45 6.52 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.15 9.15 9.15 ChEMBL