CHEMBL607941


SMILES CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey GSAPQWYTYADBOD-CDJKEZFESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 495.1

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 5.64 5.64 5.64 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A3 AA3R Rat Adenosine A pKi 7.11 7.11 7.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database