CHEMBL4102750


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey OQGPQUZUXZJICZ-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 475.1

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 Rat Adenosine A pKi 7.65 7.65 7.65 ChEMBL
A3 AA3R Human Adenosine A pKi 8.33 8.33 8.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A1 AA1R Human Adenosine A pKi 8.37 8.37 8.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.89 5.89 5.89 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.59 7.59 7.59 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.39 7.39 7.39 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.64 6.64 6.64 ChEMBL