CHEMBL201026


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)[nH]c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O
InChIKey PDFGJPCUSITVSI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 552.2

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
A2B AA2BR Human Adenosine A pKi 7.66 7.66 7.66 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database