CHEMBL2368368


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCC(N)=O)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey ZWRNXJPEIGVJQX-DYBQNUGTSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 535.1

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
A3 AA3R Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A1 AA1R Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database