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 No

Database connections

Structure pdb 8JWZ 8CIC 8C9W

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 8.82 8.95 9.07 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.5 8.5 8.5 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
A2A AA2AR Human Adenosine A pIC50 8.12 8.12 8.12 ChEMBL
A2B AA2BR Human Adenosine A pIC50 7.5 7.5 7.5 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.06 7.06 7.06 ChEMBL