CHEMBL589467


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(-c4nnn(-c5ccc(N=C=S)cc5)c4CCCCc4cn(-c5ccc(N=C=S)cc5)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey JJHMVUVXWHHHSU-WJVBKUEQSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 4
Rotatable bonds 15
Molecular weight (Da) 884.2

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
A3 AA3R Human Adenosine A pKi 8.06 8.06 8.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database