CHEMBL438071


SMILES COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc21
InChIKey QCDBBBRLYUQFIK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 454.2

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 6.58 6.58 6.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database