CHEMBL4209152


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O
InChIKey CJDPJPUVKHWZHU-YRIIQKNPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 640.3

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 5.44 5.44 5.44 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.34 5.34 5.34 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.57 7.57 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database