CHEMBL2113626


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(C)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey DCWCIJXJORRPCS-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 441.2

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 Rat Adenosine A pKi 7.49 7.49 7.49 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.91 6.91 6.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database