CHEMBL2382435


SMILES COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1
InChIKey SHLPQUHKONZOAE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 354.1

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 6.25 6.25 6.25 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.65 7.65 7.65 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A3 AA3R Human Adenosine A pKi 6.42 6.42 6.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
A1 AA1R Human Adenosine A pKi 6.67 6.67 6.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database