CHEMBL5174429


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey KDVVGWMFXLSEQE-SLHDEKGNSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 502.2

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
A1 AA1R Rat Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A1 AA1R Rat Adenosine A pKd 7.76 7.76 7.76 ChEMBL
A1 AA1R Human Adenosine A pKi 7.43 7.43 7.43 ChEMBL
A1 AA1R Human Adenosine A pKd 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.01 6.01 6.01 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.79 6.79 6.79 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.86 5.86 5.86 ChEMBL
A1 AA1R Human Adenosine A pEC50 9.28 9.28 9.28 ChEMBL