CHEMBL2368367


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(I)nc31)[C@H](O)[C@@H]2O
InChIKey QCATUPVGQKLFCK-KZOVSVDNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 554.0

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 6.68 6.68 6.68 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.93 8.93 8.93 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.41 8.41 8.41 ChEMBL
A3 AA3R Human Adenosine A pKi 8.44 8.44 8.44 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