CHEMBL3125713


SMILES CCCCC#Cc1nc(NCC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1
InChIKey IKMHKZHQEKVSOG-GHVWTTSJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 355.2

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 6.75 6.75 6.75 ChEMBL
A3 AA3R Human Adenosine A pKi 8.17 8.17 8.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.54 5.54 5.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.81 7.81 7.81 ChEMBL