CHEMBL2113630


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

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 457.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.18 8.18 8.18 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.47 5.47 5.47 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.48 7.48 7.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database