CHEMBL255907


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(OC)ccc4OC)nc(I)nc31)[C@H](O)[C@@H]2O
InChIKey FMVGOCSAVOSOBY-DHTGQPOCSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 580.1

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 Mouse Adenosine A pKi 6.53 6.53 6.53 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.82 8.82 8.82 ChEMBL
A3 AA3R Human Adenosine A pKi 8.89 8.89 8.89 ChEMBL
A1 AA1R Human Adenosine A pKi 5.51 5.51 5.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database