CHEMBL2112162


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCO)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey INPIRGBAZWMHDG-LIGBSTKKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 482.1

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 6.96 6.96 6.96 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.71 8.71 8.71 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.8 8.8 8.8 ChEMBL
A3 AA3R Human Adenosine A pKi 8.54 8.54 8.54 ChEMBL
A1 AA1R Human Adenosine A pKi 5.58 5.58 5.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database