CHEMBL199446


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O
InChIKey OTTHALQEWXGENA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 422.1

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
A2A AA2AR Rat Adenosine A pKd 7.29 7.29 7.29 ChEMBL
A2B AA2BR Human Adenosine A pKd 8.25 8.32 8.4 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.52 8.52 8.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.19 7.19 7.19 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.24 7.24 7.24 ChEMBL
A1 AA1R Human Adenosine A pKi 7.83 7.83 7.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database