CHEMBL5188601


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(C(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey JVXGEBRJMNHODI-CVNFAVJWSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 524.3

Drug properties

Molecular type Small molecule
Endogenous/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 6.85 6.85 6.85 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.95 6.95 6.95 ChEMBL
A1 AA1R Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
A1 AA1R Human Adenosine A pKd 6.23 6.23 6.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.77 4.77 4.77 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.63 6.63 6.63 ChEMBL
A2A AA2AR Human Adenosine A pEC50 4.84 4.84 4.84 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.81 7.81 7.81 ChEMBL