Compound Detail
CHEMBL14227
BUTYRIC ACID 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL14227 |
| Name | BUTYRIC ACID |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FERIUCNNQQJTOY-UHFFFAOYSA-N |
6
Targets
20
Activities
3
Assay Types
0
PK Parameters
20
Publications
9
Known Names
1
Indications
Molecular Properties
88.1
MW (Da)
0.87
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Colitis, Ulcerative
Activity Summary
IC50 14 meas. best 5.05
Ki 5 meas. best 4.09
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Free fatty acid receptor 3 CHEMBL5201 | EC50 | 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 |
| Solute carrier family 22 member 20 CHEMBL5269 | Ki | 4.09 | 4.09 | 81283.1 | 2 |
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 HDAC3 | 21874153 |
| Free fatty acid receptor 3 | EC50 | = | 12000.0 | nM | 4.92 | Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GT... | 28745893 |
| Histone deacetylase 2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human recombinant HDAC2 | 21874153 |
| Histone deacetylase 8 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human recombinant HDAC8 | 21874153 |
| Histone deacetylase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant HDAC1 | 21874153 |
| Solute carrier family 22 member 20 | Ki | = | 81283.05 | nM | 4.09 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 20 | Ki | = | 82000.0 | nM | 4.09 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23121218 | 10.1021/jf3036885 | Meloidogyne incognita | 18 |
| 20715837 | 10.1021/jf101827v | Lolium rigidum | 9 |
| 20715837 | 10.1021/jf101827v | Radish | 9 |
| 3599019 | 10.1021/jm00390a002 | No relevant target | 6 |
| 19007111 | 10.1021/jm8008794 | U-251 | 4 |
| 20925380 | 10.1021/jf1025345 | Meloidogyne incognita | 3 |
| 19007111 | 10.1021/jm8008794 | Unchecked | 3 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 6 | 2 |
| 19465932 | 10.1038/nchembio.179 | Rattus norvegicus | 2 |
| 19053749 | 10.1021/jm800873k | Histone deacetylase | 2 |
| 2553872 | 10.1021/np50064a039 | Unchecked | 2 |
| 18571290 | 10.1016/j.ejmech.2008.05.001 | K562 | 2 |
| 18942826 | 10.1021/jm800936s | Unchecked | 2 |
| 21874153 | 10.1021/ml1001954 | Histone deacetylase 6 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 20 | 2 |
| 28601526 | 10.1016/j.bmcl.2017.05.073 | Caco-2 | 2 |
| 10560743 | 10.1016/s0960-894x(99)00547-8 | K562 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 1542095 | 10.1021/jm00082a009 | B16-F10 | 2 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine