CHEMBL592679


SMILES Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1
InChIKey DOTUNKPRWZJBPQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 398.1

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
A1 AA1R Rat Adenosine A pKi 8.32 8.32 8.32 ChEMBL
A3 AA3R Human Adenosine A pKi 5.67 5.67 5.67 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.2 5.2 5.2 ChEMBL
A1 AA1R Human Adenosine A pKi 7.24 7.24 7.24 ChEMBL
A1 AA1R Human Adenosine A pKi 7.24 7.24 7.24 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.2 5.2 5.2 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.67 5.67 5.67 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 7.65 7.66 7.66 ChEMBL