CHEMBL256520


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 538.2

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 6.15 6.15 6.15 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.84 7.84 7.84 ChEMBL
A3 AA3R Human Adenosine A pKi 7.77 7.77 7.77 ChEMBL
A1 AA1R Human Adenosine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database