CHEMBL100003


SMILES CCCC1C(C(=O)OCC)=C(C)N=C(C)/C1=C(\O)OC
InChIKey FCFUFMMLEUYHMD-OWBHPGMISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 281.2

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 4.94 4.94 4.94 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.09 5.09 5.09 ChEMBL
A3 AA3R Human Adenosine A pKi 5.19 5.19 5.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database