CHEMBL2112161


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(SC)nc31)[C@H](O)[C@@H]2O
InChIKey TUKMYFNCYLCVRZ-YIVQXCEWSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 474.1

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
A1 AA1R Mouse Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.92 8.92 8.92 ChEMBL
A3 AA3R Human Adenosine A pKi 8.82 8.82 8.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A1 AA1R Human Adenosine A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database