AB928


SMILES N#Cc1cccc(c1C)c1nc(N)nc(c1)c1nnn(c1)Cc1cccc(n1)C(O)(C)C
InChIKey BUXIAWLTBSXYSW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 426.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8CIC 8C9W 8JWZ

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 8.82 8.82 8.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.0 7.0 7.0 Guide to Pharmacology