tozadenant


SMILES COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1
InChIKey XNBRWUQWSKXMPW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 406.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 5OLO

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 5.3 5.87 6.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.96 8.37 9.52 ChEMBL
A1 AA1R Human Adenosine A pKi 5.47 5.73 5.87 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.3 8.3 8.3 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.3 5.55 5.8 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.73 7.73 7.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database