CHEMBL67026


SMILES Nc1nc2c(cnn2CCCc2ccc(O)cc2)c2nc(-c3ccco3)nn12
InChIKey AXDUXMMFIPBLRQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 375.1

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
A2A AA2AR Rat Adenosine A pKi 9.03 9.03 9.03 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.13 6.13 6.13 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.32 8.07 8.82 ChEMBL
A1 AA1R Human Adenosine A pKi 5.35 5.97 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 8.0 8.0 8.0 ChEMBL