CHEMBL4864883


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey AIJPTCVDEDYCCU-NVQRDWNXSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 433.2

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 8.19 8.19 8.19 ChEMBL
A1 AA1R Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.98 7.98 7.98 ChEMBL
A2A AA2AR Human Adenosine A pIC50 4.66 4.66 4.66 ChEMBL