CHEMBL27593


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)C[C@@H]2O
InChIKey JKXQVOVVTTUXHT-QLQJRFMMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 363.1

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 Rat Adenosine A pKi 5.44 5.44 5.44 ChEMBL
A3 AA3R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 5.64 5.64 5.64 ChEMBL