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
Sankey plot
Compound is not listed as a drug.
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | 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 |