CHEMBL1171898


SMILES COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIKey NOVSCPBZVDJFFX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 373.1

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
A2B AA2BR Human Adenosine A pKi 7.66 7.66 7.66 ChEMBL
A1 AA1R Human Adenosine A pKi 7.18 7.18 7.18 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.82 7.82 7.82 ChEMBL