CHEMBL3414945


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey HAPGDXOGTRCUFO-GEVFMYGYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 437.1

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
A3 AA3R Human Adenosine A pKi 8.02 8.02 8.02 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A1 AA1R Human Adenosine A pKi 8.97 8.97 8.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.5 5.5 5.5 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.98 6.98 6.98 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.48 7.48 7.48 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.13 8.13 8.13 ChEMBL