CHEMBL4462442


SMILES CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1=O
InChIKey AASXHCGIIQCKEE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 513.2

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
A3 AA3R Human Adenosine A pKd 5.9 6.05 6.2 ChEMBL
A3 AA3R Human Adenosine A pKi 6.1 6.22 6.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.2 5.2 5.2 ChEMBL
A1 AA1R Human Adenosine A pKi 4.8 4.8 4.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database