CHEMBL5197358


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O
InChIKey TXRYRWFBJHQBFA-WHRBDNGYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 461.1

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
A1 AA1R Rat Adenosine A pKi 7.28 7.28 7.28 ChEMBL
A1 AA1R Rat Adenosine A pKd 7.58 7.58 7.58 ChEMBL
A1 AA1R Human Adenosine A pKd 7.34 7.34 7.34 ChEMBL
A1 AA1R Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.31 5.31 5.31 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.73 6.73 6.73 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.96 5.96 5.96 ChEMBL
A1 AA1R Human Adenosine A pEC50 9.03 9.03 9.03 ChEMBL