CHEMBL2413103


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C
InChIKey NVXYFOZDDNUFQP-AGGZIRAGSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 594.3

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 5.74 5.74 5.74 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.36 5.36 5.36 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.37 7.37 7.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database