CHEMBL608044


SMILES CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O
InChIKey GHVSKPLCDJFXKE-SJRXCUDTSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 20
Molecular weight (Da) 724.4

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 Rat Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.47 5.47 5.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database