Compound Detail
CHEMBL233295
ISOFERULIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL233295 |
| Name | ISOFERULIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QURCVMIEKCOAJU-HWKANZROSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
1.50
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.87
EC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.53 | 4.53 | 29300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13500.0 | nM | 4.87 | Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed ... | 23682762 |
| NON-PROTEIN TARGET | EC50 | = | 29300.0 | nM | 4.53 | Cytoprotective activity against H2O2-induced cytotoxicity in human EAhy926 cells... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00022F | NON-PROTEIN TARGET | 5 |
| 12027739 | 10.1021/np010486c | NON-PROTEIN TARGET | 2 |
| 23682762 | 10.1021/jm400374q | Unchecked | 2 |
| - | 10.1584/jpestics.G10-84 | Ralstonia solanacearum | 2 |
| 22137340 | 10.1016/j.bmcl.2011.11.041 | Estrogen receptor | 2 |
| 22079762 | 10.1016/j.bmcl.2011.10.043 | RAW264.7 | 2 |
| 20184336 | 10.1021/np900752t | Hyaluronidase-1 | 1 |
| 21377874 | 10.1016/j.bmcl.2011.02.028 | Radical scavenging activity | 1 |
| 21377874 | 10.1016/j.bmcl.2011.02.028 | Tyrosinase | 1 |
| 19278239 | 10.1021/np900118z | HeLa | 1 |
| 12027739 | 10.1021/np010486c | HeLa | 1 |
| 12027739 | 10.1021/np010486c | A549 | 1 |
| 23682762 | 10.1021/jm400374q | No relevant target | 1 |
| 12027739 | 10.1021/np010486c | HT-1080 | 1 |
| 17287127 | 10.1016/j.bmc.2007.01.035 | Tyrosinase | 1 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha amylase | 1 |
| 28282613 | 10.1016/j.ejmech.2017.02.043 | No relevant target | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine