CHEMBL5840139


SMILES COc1ccc(CNc2nc3c(OC)cc(F)cc3c3nc([C@@H]4C[C@@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nn23)c(OC)c1
InChIKey KNQRBVIESPJOCL-TZIWHRDSSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 622.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 9.05 9.05 9.05 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.82 6.82 6.82 ChEMBL