CHEMBL591710


SMILES O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1
InChIKey IKMNLKQUUGRBCM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
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
A2A AA2AR Rat Adenosine A pKi 6.18 6.18 6.18 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.24 8.24 8.24 ChEMBL
A3 AA3R Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.46 6.46 6.46 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.68 6.68 6.68 PDSP Ki database
A1 AA1R Human Adenosine A pKi 7.27 7.27 7.27 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 7.54 7.56 7.59 ChEMBL