CHEMBL4465891


SMILES COc1cc(CCNc2nc(C#Cc3ccccc3F)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O
InChIKey LBETYHWTGGCABN-DZBNJKESSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 515.2

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 6.21 6.21 6.21 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.67 7.67 7.67 ChEMBL
A3 AA3R Human Adenosine A pKi 8.27 8.27 8.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.23 5.23 5.23 ChEMBL
A1 AA1R Human Adenosine A pKi 6.73 6.73 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database