CHEMBL513681


SMILES Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O
InChIKey CRYQUEMGJRNSNJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 410.1

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 Rat Adenosine A pKd 8.66 8.66 8.66 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.1 9.1 9.1 ChEMBL
A3 AA3R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
A1 AA1R Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.98 7.98 7.98 ChEMBL
A2A AA2AR Rat Adenosine A pKd 7.55 7.55 7.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database