CHEMBL3414939


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey PCCBWJONNFIZJH-FLNNQWSLSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 381.1

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 6.22 6.22 6.22 ChEMBL
A3 AA3R Human Adenosine A pKi 9.37 9.37 9.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.47 5.47 5.47 ChEMBL
A1 AA1R Human Adenosine A pKi 8.07 8.07 8.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 8.11 8.11 8.11 ChEMBL
A2A AA2AR Human Adenosine A pEC50 6.62 6.62 6.62 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.6 6.6 6.6 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.46 5.46 5.46 ChEMBL