CHEMBL425457


SMILES CCCn1c(=O)c2nc([C@]34CC[C@](CC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O
InChIKey YCUDIPUBZROMDV-OYRHEFFESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 402.2

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 5.05 5.05 5.05 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.65 7.65 7.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database