CHEMBL4546937


SMILES Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1
InChIKey ZJBSNCPQNNTTRY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 379.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pKi 6.28 6.28 6.28 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 ChEMBL
A3 AA3R Human Adenosine A pKi 7.89 7.89 7.89 ChEMBL
A1 AA1R Human Adenosine A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database