CHEMBL4286455


SMILES CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCCC3)cc2)n(CCCC)c1=O
InChIKey KPPXBOVRCFETTD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 15
Molecular weight (Da) 593.4

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 7.18 7.18 7.18 ChEMBL
A3 AA3R Human Adenosine A pKi 6.69 6.69 6.69 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.44 7.44 7.44 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.34 6.34 6.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database