CHEMBL2112177


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O
InChIKey GKBJUUNWOIEUDP-VOIPTAPHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 372.2

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 7.99 7.99 7.99 ChEMBL
A3 AA3R Human Adenosine A pKi 7.88 7.88 7.88 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.19 5.19 5.19 ChEMBL
A1 AA1R Human Adenosine A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database