CHEMBL3414940


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey DEVAFUMPTPLYOY-BQVMBELUSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 373.2

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
A3 AA3R Rat Adenosine A pKi 7.18 7.18 7.18 ChEMBL
A3 AA3R Human Adenosine A pKi 8.1 8.58 9.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.94 7.03 ChEMBL
A1 AA1R Human Adenosine A pKi 9.06 9.12 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.17 6.41 6.65 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.29 7.78 8.27 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.67 7.84 8.01 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.06 8.09 8.12 ChEMBL