CHEMBL4174108


SMILES Cn1c(-c2ccc(O)cc2)nc2c(NC3CCCC3)ncnc21
InChIKey OKFLBAVQKOJGFD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 309.2

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
A2B AA2BR Human Adenosine A pKi 4.75 4.75 4.75 ChEMBL
A3 AA3R Human Adenosine A pKi 6.28 6.28 6.28 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A1 AA1R Human Adenosine A pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.28 7.28 7.28 ChEMBL