CHEMBL456125


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O
InChIKey IDZLUCZVCCNUTR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 554.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Rat Adenosine A pKd 9.33 9.33 9.33 ChEMBL
A2A AA2AR Rat Adenosine A pKd 6.65 6.65 6.65 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
A3 AA3R Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A1 AA1R Human Adenosine A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database