CHEMBL258810


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O
InChIKey NCGWALJTIUYMBB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 518.2

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 7.95 7.95 7.95 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database