CHEMBL2071048


SMILES Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1
InChIKey VTSQQYVKRAXQOP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 528.2

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 8.41 8.41 8.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.55 5.55 5.55 ChEMBL
A1 AA1R Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.67 5.67 5.67 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.92 7.92 7.92 ChEMBL