CHEMBL4097468


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey PWGOJUSCXLZCQN-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 441.2

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 8.03 8.03 8.03 ChEMBL
A3 AA3R Human Adenosine A pKi 8.92 8.92 8.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.13 7.13 7.13 ChEMBL
A1 AA1R Human Adenosine A pKi 8.43 8.43 8.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.96 5.96 5.96 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.9 7.9 7.9 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.84 7.84 7.84 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.83 6.83 6.83 ChEMBL