CHEMBL4087306


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey JHUFDJIJVKFFOF-MEQWQQMJSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 387.2

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 7.19 7.19 7.19 ChEMBL
A1 AA1R Human Adenosine A pKi 9.36 9.36 9.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
A3 AA3R Human Adenosine A pKi 9.24 9.24 9.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 8.11 8.11 8.11 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.78 7.78 7.78 ChEMBL
A2B AA2BR Human Adenosine A pEC50 6.2 6.2 6.2 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.45 8.45 8.45 ChEMBL