CHEMBL292917


SMILES O=C(O)CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIKey FKJPZJACCBMNKZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 374.1

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
A1 AA1R Mouse Adenosine A pKi 7.99 7.99 7.99 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A1 AA1R Bovine Adenosine A pKi 8.18 8.18 8.18 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.18 8.18 8.18 ChEMBL
A1 AA1R Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A1 AA1R Human Adenosine A pKi 7.92 7.92 7.92 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pIC50 5.23 5.23 5.23 ChEMBL
A1 AA1R Rat Adenosine A pIC50 6.92 6.92 6.92 ChEMBL