CHEMBL4076561


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey HOKAGORUHNENMD-MEQWQQMJSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 463.1

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 8.8 8.8 8.8 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
A1 AA1R Human Adenosine A pKi 8.22 8.22 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.67 5.67 5.67 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.35 7.35 7.35 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.42 7.42 7.42 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.65 6.65 6.65 ChEMBL