CHEMBL519253


SMILES C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O
InChIKey WVZOHGLIFIHKRP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 524.1

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 6.7 6.7 6.7 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.84 5.84 5.84 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.33 9.33 9.33 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.32 9.32 9.32 ChEMBL
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database