METHYLTHIOADENOSINE


SMILES CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey WUUGFSXJNOTRMR-IOSLPCCCSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 297.1

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 5.93 5.94 5.95 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.62 6.71 6.82 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.86 4.97 5.09 ChEMBL
A3 AA3R Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 4.82 5.5 6.17 ChEMBL
A3 AA3R Human Adenosine A pIC50 4.15 4.15 4.15 ChEMBL