GR79236


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O
InChIKey GYWXTRVEUURNEW-TVDBPQCTSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 4
Molecular weight (Da) 351.2

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
A2A AA2AR Human Adenosine A pKi 5.89 5.89 5.89 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.51 8.51 8.51 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.51 8.51 8.51 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.5 4.5 4.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.6 5.24 5.88 ChEMBL
A1 AA1R Human Adenosine A pKi 7.8 8.11 8.41 ChEMBL
A3 AA3R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 8.23 8.23 8.23 ChEMBL