CHEMBL360646


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1
InChIKey OURJBCKOCLXZST-NIQZGXKPSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 516.2

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
A2B AA2BR Human Adenosine A pKi 5.57 5.57 5.57 ChEMBL
A3 AA3R Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A1 AA1R Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.33 5.33 5.33 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.01 7.01 7.01 ChEMBL