CHEMBL486688


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O
InChIKey DXXSLNCEWQRJBH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 576.2

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 5.77 5.77 5.77 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.56 6.56 6.56 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.11 9.11 9.11 ChEMBL
A3 AA3R Human Adenosine A pKi 4.52 4.52 4.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.51 6.51 6.51 ChEMBL
A1 AA1R Human Adenosine A pKi 5.58 5.58 5.58 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.51 6.51 6.51 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.11 9.11 9.11 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.58 5.58 5.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 8.45 8.45 8.45 ChEMBL