CHEMBL599817


SMILES CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC[S+]([O-])CC)c1=O
InChIKey RINZBUYGVPLSEF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 374.1

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 6.23 6.23 6.23 ChEMBL
A3 AA3R Human Adenosine A pKi 6.61 6.61 6.61 ChEMBL
A1 AA1R Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database