CHEMBL4177249


SMILES Cn1c(-c2ccc(F)cc2)nc2c(NC3CCCC3)ncnc21
InChIKey MCGGJXHWTYMESK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 311.2

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
A3 AA3R Human Adenosine A pKi 5.94 5.94 5.94 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.62 5.62 5.62 ChEMBL
A1 AA1R Human Adenosine A pKi 8.21 8.21 8.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.5 7.5 7.5 ChEMBL