CHEMBL69794


SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1OC
InChIKey YWQKIVSBEVCNDE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 419.2

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
A2A AA2AR Rat Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.55 5.55 5.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.57 8.57 8.57 ChEMBL
A1 AA1R Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.7 7.7 7.7 ChEMBL