CHEMBL589262


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5cccc([N+](=O)[O-])c5)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey VUMUJRMOLVNSCZ-HDFRBTCWSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 11
Molecular weight (Da) 696.2

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
A3 AA3R Human Adenosine A pKi 7.97 7.97 7.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.17 5.17 5.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database