CHEMBL219910


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(-c5ccccn5)nn4)nc32)[C@H](O)[C@@H]1O
InChIKey RKEDXKOLJCMJFR-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 466.2

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 Human Adenosine A pKi 8.74 8.74 8.74 ChEMBL
A1 AA1R Human Adenosine A pKi 5.79 5.79 5.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database