Detailed information for compound 917811
Basic information
Technical information
- TDR Targets ID: 917811
- Name: 4,5-dimethoxy-2-prop-2-enylphenol
- MW: 194.227 | Formula: C11H14O3
-
H donors: 1
H acceptors: 1
LogP: 2.58
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: C=CCc1cc(OC)c(cc1O)OC
- InChi: 1S/C11H14O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7,12H,1,5H2,2-3H3
- InChiKey: IHAVVJBEVFMSES-UHFFFAOYSA-N
Network
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Synonyms
- 2-allyl-4,5-dimethoxy-phenol
- 2-allyl-4,5-dimethoxyphenol
- 4,5-dimethoxy-2-prop-2-enyl-phenol
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | thymidylate synthase | 0.1863 | 0.279 | 1 |
| Wolbachia endosymbiont of Brugia malayi | thymidylate kinase | 0.0073 | 0 | 0.5 |
| Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.1863 | 0.279 | 0.279 |
| Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.1863 | 0.279 | 1 |
| Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.1863 | 0.279 | 1 |
| Mycobacterium ulcerans | FAD-dependent thymidylate synthase | 0.649 | 1 | 1 |
| Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.1863 | 0.279 | 1 |
| Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase, putative | 0.0887 | 0.1268 | 0.4543 |
| Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.1863 | 0.279 | 0.279 |
| Echinococcus granulosus | thymidylate synthase | 0.1863 | 0.279 | 1 |
| Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1863 | 0.279 | 1 |
| Mycobacterium tuberculosis | Hypothetical protein | 0.0887 | 0.1268 | 0.1268 |
| Loa Loa (eye worm) | thymidylate synthase | 0.1863 | 0.279 | 1 |
| Chlamydia trachomatis | thymidylate kinase | 0.0073 | 0 | 0.5 |
| Entamoeba histolytica | Thymidylate kinase, putative | 0.0073 | 0 | 0.5 |
| Mycobacterium ulcerans | thymidylate synthase | 0.1863 | 0.279 | 0.279 |
| Treponema pallidum | thymidylate kinase (tmk) | 0.0073 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0887 | 0.1268 | 1 |
| Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.1863 | 0.279 | 1 |
| Brugia malayi | hypothetical protein | 0.0887 | 0.1268 | 0.4543 |
| Giardia lamblia | CDC8 | 0.0073 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable thymidylate synthase ThyX (ts) (TSase) | 0.649 | 1 | 1 |
| Brugia malayi | thymidylate synthase | 0.1863 | 0.279 | 1 |
| Onchocerca volvulus | 0.1863 | 0.279 | 1 | |
| Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1863 | 0.279 | 1 |
| Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1863 | 0.279 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = -54.11 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced total cholesterol level at 100 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -52.07 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced LDL-cholesterol level at 100 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -49.79 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced total cholesterol level at 50 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -44.22 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of LDL cholesterol level at 100 mg/kg/day, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -42.98 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced LDL-cholesterol level at 50 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -42.39 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of triglyceride level at 100 mg/kg/day, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -41.77 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced HDL-cholesterol level at 100 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -40.67 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of total cholesterol level at 100 mg/kg/day, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -40.08 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of HDL cholesterol level at 50 mg/kg/day, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -39.67 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced HDL-cholesterol level at 50 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -37.78 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of triglyceride level at 50 mg/kg/day, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -35.96 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of HDL cholesterol level at 100 mg/kg/day, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -33.45 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of total cholesterol level at 50 mg/kg, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -23.2 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced triglyceride level at 50 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = -6.83 % | Hypolipidemic activity in ICR mouse assessed as decrease in Tyloxapol-induced triglyceride level at 100 mg/kg, ip administered 1 hr before Tyloxapol challenge and 22, 48 hrs after Tyloxapol challenge measured after 22 hrs relative to control | ChEMBL. | 20576575 |
| Activity (functional) | = 26.49 % | Hypolipidemic activity in high cholesterol diet fed ICR mouse assessed as reduction of LDL cholesterol level at 50 mg/kg/day, ip after 12 hrs of last cholesterol challenge relative to control | ChEMBL. | 20576575 |
| IC50 (binding) | = 0.0788 mM | Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry | ChEMBL. | 20576575 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL1163202
Bibliographic References
No literature references available for this target.
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