CHEMBL4286634


SMILES CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCn3ccnc3)cc2)n(CCC)c1=O
InChIKey XXNWWMBNKXNSHZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 576.3

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
A2B AA2BR Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database