Compound Detail
CHEMBL62381
SODIUM BUTYRATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL62381 |
| Name | SODIUM BUTYRATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MFBOGIVSZKQAPD-UHFFFAOYSA-M |
6
Targets
20
Activities
3
Assay Types
2
PK Parameters
20
Publications
4
Known Names
4
Indications
Molecular Properties
110.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Arthritis, Rheumatoid Dysentery, Bacillary Graft vs Host Disease Hypertension
Activity Summary
IC50 13 meas. best 5.05
Ki 6 meas. best 4.57
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Free fatty acid receptor 3 CHEMBL5201 | EC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Carbonic anhydrase CHEMBL5337 | Ki | 4.57 | 4.57 | 26900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Homo sapiens |
| T1/2 | 0.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human recombinant His-tagged HDAC3 expressed in baculovirus expres... | 34826681 |
| Free fatty acid receptor 3 | EC50 | = | 10100.0 | nM | 5.0 | Agonist activity at GPR41 (unknown origin) by Fluo-4 AM dye based calcium mobili... | 27326330 |
| Histone deacetylase 2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human recombinant full-length His-tagged HDAC2 expressed in baculo... | 34826681 |
| Histone deacetylase 8 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human recombinant His-tagged HDAC8 expressed in Escherichia coli i... | 34826681 |
| Histone deacetylase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant His-tagged HDAC1 expressed in baculovirus expres... | 34826681 |
| Carbonic anhydrase | Ki | = | 26900.0 | nM | 4.57 | Inhibition of Candida albicans Nce103 | 19297172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9623-3 | Histone deacetylase | 6 |
| 17675290 | 10.1074/jbc.m703586200 | Tissue factor | 4 |
| 33556569 | 10.1016/j.bmcl.2021.127844 | T-cell | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 14971890 | 10.1021/jm030990+ | Histone deacetylase HD2 | 2 |
| 15857140 | 10.1021/jm049002a | Histone deacetylase HD2 | 2 |
| 21402476 | 10.1016/j.bmcl.2011.02.057 | Unchecked | 2 |
| 19520580 | 10.1016/j.bmc.2009.05.042 | Histone deacetylase | 2 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Carbonic anhydrase | 1 |
| 23937979 | 10.1016/j.bmcl.2013.07.016 | K562 | 1 |
| 21819082 | 10.1021/jm200497t | Serum | 1 |
| 18543902 | 10.1021/jm8001839 | MDA-MB-231 | 1 |
| 18543902 | 10.1021/jm8001839 | PC-3 | 1 |
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Unchecked | 1 |
| 19297172 | 10.1016/j.bmc.2009.02.058 | Carbonic anhydrase 2 | 1 |
| 11405644 | 10.1021/jm015515v | Histone deacetylase HD2 | 1 |
| 10425110 | 10.1021/jm980565u | Histone deacetylase | 1 |
| 27490705 | 10.1021/acs.jmedchem.6b00670 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine