CHEMBL3125716


SMILES CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1
InChIKey NYPUJVILFAJNGC-RNPPMORTSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 543.1

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
A2A AA2AR Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A3 AA3R Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A3 AA3R Rat Adenosine A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database