1-METHYLXANTHINE


SMILES Cn1c(=O)[nH]c2[nH]cnc2c1=O
InChIKey MVOYJPOZRLFTCP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Molecular weight (Da) 166.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Guinea pig Adenosine A pKi 4.17 4.17 4.17 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 4.94 4.94 4.94 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.44 4.68 5.05 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 4.12 4.12 4.12 ChEMBL