CHEMBL112669


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)CNCC(=O)O)cc3)[nH]c2n(CCC)c1=O
InChIKey DLIFOYBZSVXZFZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 15
Molecular weight (Da) 543.2

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
A3 AA3R Rat Adenosine A pKi 4.01 4.01 4.01 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.44 7.44 7.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database