CHEMBL3125714


SMILES CCCCC#Cc1nc(NC2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1
InChIKey FFXLBWBFFVZMAF-NFIDOXACSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 367.2

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
A3 AA3R Rat Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A3 AA3R Human Adenosine A pKi 8.04 8.04 8.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.66 5.66 5.66 ChEMBL
A1 AA1R Human Adenosine A pKi 5.66 5.66 5.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.7 7.7 7.7 ChEMBL