CHEMBL201721


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O
InChIKey BUEJCBZTDZRXBI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 404.1

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
A2A AA2AR Rat Adenosine A pKd 6.2 6.2 6.2 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.96 7.96 7.96 ChEMBL
A2B AA2BR Human Adenosine A pKd 7.28 7.64 8.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A2A AA2AR Human Adenosine A pKd 6.2 6.2 6.2 ChEMBL
A1 AA1R Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database