CHEMBL142226


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1ccccc1[N+](=O)[O-]
InChIKey JKMMYHRKBNRZLP-YYDJUVGSSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 479.2

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 5.49 5.49 5.49 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.71 4.71 4.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database