CHEMBL201750


SMILES COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIKey FDOSHTFSNUWZRF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 512.1

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 6.03 6.03 6.03 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.46 8.46 8.46 ChEMBL
A2B AA2BR Human Adenosine A pKd 8.26 8.28 8.3 ChEMBL
A3 AA3R Human Adenosine A pKi 4.97 4.97 4.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.31 5.31 5.31 ChEMBL
A2A AA2AR Human Adenosine A pKd 5.9 5.9 5.9 ChEMBL
A1 AA1R Human Adenosine A pKi 7.49 7.49 7.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database