CHEMBL405982


SMILES CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1C#Cc1ccccc1
InChIKey JCXSZXPWWHBNJL-KDJFERLWSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 567.2

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 5.29 5.29 5.29 ChEMBL
A3 AA3R Human Adenosine A pKi 7.44 7.44 7.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database