CHEMBL28057


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C[C@@H]2O
InChIKey BWHAIDUMUGNTQL-BZIRYSOJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 511.0

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
A2A AA2AR Rat Adenosine A pKi 4.59 4.59 4.59 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.06 5.06 5.06 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database