CHEMBL8488


SMILES Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O
InChIKey LXJSJIXZOAMHTG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 336.1

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 Guinea pig Adenosine A pKi 5.2 5.2 5.2 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.85 4.98 5.24 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.85 5.49 6.0 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.88 5.88 5.88 ChEMBL
A3 AA3R Human Adenosine A pKi 4.96 5.1 5.23 ChEMBL
A1 AA1R Human Adenosine A pKi 5.35 5.35 5.35 ChEMBL
A1 AA1R Human Adenosine A pKi 6.37 6.37 6.37 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 5.58 5.58 5.58 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Bovine Adenosine A pIC50 7.66 7.66 7.66 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.05 7.05 7.05 ChEMBL
A1 AA1R Rat Adenosine A pIC50 6.35 7.0 7.66 ChEMBL