CHEMBL37082


SMILES CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2c1=O
InChIKey BOYRWECKNBCGJS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 358.1

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 Rat Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.97 7.97 7.97 ChEMBL
A3 AA3R Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.73 5.73 5.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database