Isobutylmethylxanthine


SMILES CC(Cn1c(=O)n(C)c(=O)c2c1nc[nH]2)C
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 222.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.1 5.1 5.1 Guide to Pharmacology
A2A AA2AR Guinea pig Adenosine A pKi 5.1 5.1 5.1 ChEMBL
A1 AA1R Bovine Adenosine A pKi 5.16 5.16 5.16 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.16 5.25 5.6 ChEMBL
A1 AA1R Human Adenosine A pKd 5.23 5.23 5.23 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.15 5.36 5.61 PDSP Ki database
A1 AA1R Bovine Adenosine A pKi 5.6 5.6 5.6 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 5.24 5.24 5.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 5.16 5.16 5.16 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.9 4.9 4.9 ChEMBL