BENZBROMARONE


SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIKey WHQCHUCQKNIQEC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 421.9

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
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.94 5.94 5.94 ChEMBL
A3 AA3R Human Adenosine A pKi 5.53 5.53 5.53 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
A3 AA3R Human Adenosine A pKi 8.26 8.26 8.26 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.74 5.74 5.74 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.28 5.28 5.28 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.4 5.4 5.4 ChEMBL