CHEMBL39986


SMILES CCCn1c(=O)[nH]c2[nH]cnc2c1=O
InChIKey IWBONKMODGBEOX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 194.1

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 Guinea pig Adenosine A pKi 4.63 4.63 4.63 ChEMBL
A2B AA2BR Rat Adenosine A pKi 5.73 5.73 5.73 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 5.48 5.48 5.48 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.89 5.09 5.48 ChEMBL
A3 AA3R Human Adenosine A pKi 5.62 5.62 5.62 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 4.21 4.21 4.21 ChEMBL