CHEMBL112034


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)CN(CC(=O)O)C(=O)CCC(=O)O)cc3)[nH]c2n(CCC)c1=O
InChIKey IBNZASFOCZSANB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 18
Molecular weight (Da) 643.3

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
A3 AA3R Rat Adenosine A pKi 4.0 4.0 4.0 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.04 5.04 5.04 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.54 5.54 5.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database