CHEMBL198191


SMILES CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCCOC)c1=O
InChIKey JBGOGLZYEKBTKL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 401.2

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 7.14 7.14 7.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.03 6.03 6.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database