CHEMBL319387


SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey AHJRSKVOELIMOX-RVXWVPLUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 347.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 8.22 8.51 8.66 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.2 7.07 7.9 ChEMBL
A3 AA3R Human Adenosine A pKi 7.77 8.05 8.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.24 8.24 8.24 ChEMBL
A1 AA1R Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 7.1 7.1 7.1 ChEMBL
A1 AA1R Rat Adenosine A pIC50 5.64 5.64 5.64 ChEMBL
A2B AA2BR Human Adenosine A pEC50 4.0 4.0 4.0 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.0 8.0 8.0 ChEMBL