CHEMBL103950


SMILES CCCCC1=C(C(=O)OCC)C(C)/C(=C(/O)OCC)C(C)=N1
InChIKey QIYOHPACDHFMOR-JQIJEIRASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 309.2

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 4.42 4.42 4.42 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.97 4.97 4.97 ChEMBL
A3 AA3R Human Adenosine A pKi 4.33 4.33 4.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database