CHEMBL2112157


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(OC)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey ABUUWIZJEMSEFP-KYOARWNFSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 488.2

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
A2A AA2AR Mouse Adenosine A pKi 4.35 4.35 4.35 ChEMBL
A1 AA1R Mouse Adenosine A pKi 7.54 7.54 7.54 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.76 8.76 8.76 ChEMBL
A3 AA3R Rat Adenosine A pKi 9.06 9.06 9.06 ChEMBL
A3 AA3R Human Adenosine A pKi 8.85 8.85 8.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A1 AA1R Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database