CHEMBL606095


SMILES CC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey FKRVKZRCTXANDS-LBXNUOQPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 322.1

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
A2A AA2AR Rat Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.09 6.34 6.59 ChEMBL
A3 AA3R Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.43 4.43 4.43 ChEMBL