CHEMBL2079181


SMILES CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1
InChIKey MMPIVZZKIFXAHR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 507.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.51 7.51 7.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A1 AA1R Human Adenosine A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.92 6.92 6.92 ChEMBL
A2B AA2BR Human Adenosine A pIC50 5.67 5.67 5.67 ChEMBL