Compound Detail
CHEMBL1356
SODIUM BENZOATE 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1356 |
| Name | SODIUM BENZOATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Therapeutic | ✓ Yes |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
15
Known Names
2
Indications
1
Mechanisms
Molecular Properties
144.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1987 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Brain Diseases Psychotic Disorders
ATC Classification
A16AX11
sodium benzoate
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Activity Summary
Ki 7 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL5337 | Ki | 4.61 | 4.61 | 24400.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.52 | 4.52 | 30000.0 | 2 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.13 | 4.13 | 74700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | Ki | = | 24400.0 | nM | 4.61 | Inhibition of Candida albicans Nce103 | 19297172 |
| Carbonic anhydrase 2 | Ki | = | 30000.0 | nM | 4.52 | Binding affinity against human cytosolic Carbonic anhydrase II | 15664815 |
| Carbonic anhydrase 2 | Ki | = | 30000.0 | nM | 4.52 | Inhibition of human carbonic anhydrase2 | 19297172 |
| Carbonic anhydrase 4 | Ki | = | 74700.0 | nM | 4.13 | Binding affinity against human cytosolic Carbonic anhydrase IV | 15664815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 21402476 | 10.1016/j.bmcl.2011.02.057 | Unchecked | 2 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 1 | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 2 | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 4 | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 15664815 | 10.1016/j.bmcl.2004.11.057 | Carbonic anhydrase 9 | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Carbonic anhydrase 2 | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Unchecked | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Carbonic anhydrase | 1 |
| 21402476 | 10.1016/j.bmcl.2011.02.057 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine