CHEMBL2181970


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey JIRGTKPVZYPJCV-ZVWXDJDZSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 451.1

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
A2A AA2AR Rat Adenosine A pKi 6.34 6.34 6.34 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.8 7.8 7.8 ChEMBL
A3 AA3R Human Adenosine A pKi 8.72 8.72 8.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.62 5.62 5.62 ChEMBL
A1 AA1R Human Adenosine A pKi 6.98 6.98 6.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database