CHEMBL607025


SMILES CCCC1C(=O)Nc2nc(-c3ccc(OCC(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)[nH]c2C1=O
InChIKey GPEFJUIYWKPKIL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 496.3

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 5.9 5.9 5.9 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.8 7.8 7.8 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.32 7.32 7.32 ChEMBL
A3 AA3R Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database