CHEMBL17003


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2n(CCC)c1=O
InChIKey GNWZTRBDJOQWCR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 539.1

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 pKi 6.66 6.66 6.66 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.13 8.13 8.13 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.62 8.62 8.63 ChEMBL
A3 AA3R Human Adenosine A pKi 5.63 5.63 5.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.78 5.79 5.79 ChEMBL
A1 AA1R Human Adenosine A pKi 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database