CHEMBL400189


SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21
InChIKey BVOLJUDYJILMMW-QTDMDRALSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 349.2

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 6.68 6.68 6.68 ChEMBL
A1 AA1R Bovine Adenosine A pKi 5.14 7.38 8.36 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.02 8.02 8.02 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A3 AA3R Human Adenosine A pKi 4.57 5.62 6.66 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.98 5.08 5.14 ChEMBL
A1 AA1R Human Adenosine A pKi 8.35 8.35 8.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database