CHEMBL4439013


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@@H]1O
InChIKey NGHXZSXZJYSIMT-BGIGGGFGSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 407.2

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
A1 AA1R Mouse Adenosine A pKi 9.15 9.15 9.15 ChEMBL
A3 AA3R Mouse Adenosine A pKi 5.68 5.68 5.68 ChEMBL
A3 AA3R Human Adenosine A pKi 4.78 4.78 4.78 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.28 5.28 5.28 ChEMBL
A1 AA1R Human Adenosine A pKi 8.31 8.31 8.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database