CHEMBL3414936


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey MAIBBTQWLYABNH-FLNNQWSLSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 333.1

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 6.64 6.64 6.64 ChEMBL
A3 AA3R Human Adenosine A pKi 8.41 8.41 8.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.09 8.09 8.09 ChEMBL
A1 AA1R Human Adenosine A pKi 9.04 9.04 9.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.46 6.46 6.46 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.03 7.03 7.03 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.63 8.63 8.63 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.58 7.58 7.58 ChEMBL