CHEMBL27508


SMILES CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O
InChIKey UQGGPCQNHJCOPS-PKNBQFBNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 412.2

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
A1 AA1R Guinea pig Adenosine A pKi 5.82 5.82 5.82 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.38 7.99 9.0 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.03 6.49 7.21 ChEMBL
A3 AA3R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.15 8.07 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 7.21 7.21 7.21 ChEMBL
A2B AA2BR Human Adenosine A pIC50 5.82 5.82 5.82 ChEMBL
A2A AA2AR Human Adenosine A pIC50 9.0 9.0 9.0 ChEMBL