CHEMBL5180268


SMILES N#Cc1cc2c(-c3ccccc3)n[nH]c2c(Nc2ccccc2)n1
InChIKey JZZUNCXKCLNTHB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 311.1

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 pKd 7.58 7.67 7.77 ChEMBL
A3 AA3R Human Adenosine A pKi 7.36 7.36 7.36 ChEMBL
A1 AA1R Human Adenosine A pKd 7.21 7.21 7.21 ChEMBL
A1 AA1R Human Adenosine A pKi 6.67 6.67 6.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.22 7.22 7.22 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.87 7.87 7.87 ChEMBL