Detailed information for compound 504489
Basic information
Technical information
- TDR Targets ID: 504489
- Name: (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-pheny lprop-2-en-1-one
- MW: 270.28 | Formula: C16H14O4
-
H donors: 2
H acceptors: 3
LogP: 3.5
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: COc1c(O)ccc(c1O)C(=O)/C=C/c1ccccc1
- InChi: 1S/C16H14O4/c1-20-16-14(18)10-8-12(15(16)19)13(17)9-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b9-7+
- InChiKey: RMVZCGQXCSTLFG-VQHVLOKHSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (E)-1-(2,4-dihydroxy-3-methoxy-phenyl)-3-phenyl-prop-2-en-1-one
- (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenyl-2-propen-1-one
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Plasmodium falciparum | fructose-bisphosphate aldolase | Curated by TDR Targets | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0022 | 0.0548 | 0.0548 |
| Toxoplasma gondii | fructose-bisphosphate aldolase, putative | 0.011 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.1574 | 0.1574 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 1 | 1 |
| Entamoeba histolytica | exodeoxyribonuclease III, putative | 0.0022 | 0.0548 | 0.5 |
| Echinococcus multilocularis | musashi | 0.0031 | 0.1574 | 0.1085 |
| Trypanosoma brucei | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Onchocerca volvulus | 0.0031 | 0.1574 | 0.5 | |
| Loa Loa (eye worm) | fructose-bisphosphate aldolase 2 | 0.011 | 1 | 1 |
| Echinococcus multilocularis | lamin | 0.0031 | 0.1574 | 0.1085 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0022 | 0.0548 | 0.5 |
| Echinococcus granulosus | fructose bisphosphate aldolase class I | 0.011 | 1 | 1 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0022 | 0.0548 | 0.5 |
| Onchocerca volvulus | 0.0031 | 0.1574 | 0.5 | |
| Brugia malayi | fructose-bisphosphate aldolase 1 | 0.011 | 1 | 1 |
| Mycobacterium tuberculosis | Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) | 0.0022 | 0.0548 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0031 | 0.1574 | 0.1085 |
| Toxoplasma gondii | fructose-1,6-bisphosphate aldolase | 0.011 | 1 | 1 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0022 | 0.0548 | 0.5 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 1 | 1 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 1 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0022 | 0.0548 | 0.5 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 1 | 1 |
| Plasmodium vivax | fructose 1,6-bisphosphate aldolase, putative | 0.011 | 1 | 1 |
| Toxoplasma gondii | fructose-1,6-bisphosphate aldolase | 0.011 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0031 | 0.1574 | 0.1085 |
| Loa Loa (eye worm) | fructose-bisphosphate aldolase 1 | 0.011 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0031 | 0.1574 | 0.1085 |
| Brugia malayi | intermediate filament protein | 0.0031 | 0.1574 | 0.1574 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0022 | 0.0548 | 0.5 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Schistosoma mansoni | fructose 16-bisphosphate aldolase | 0.011 | 1 | 1 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 1 | 1 |
| Schistosoma mansoni | intermediate filament proteins | 0.0031 | 0.1574 | 0.1085 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Plasmodium falciparum | fructose-bisphosphate aldolase | 0.011 | 1 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0031 | 0.1574 | 0.1574 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 1 | 1 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0031 | 0.1574 | 0.1574 |
| Schistosoma mansoni | lamin | 0.0031 | 0.1574 | 0.1085 |
| Echinococcus multilocularis | lamin dm0 | 0.0031 | 0.1574 | 0.1085 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.1512 | 0.1512 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0022 | 0.0548 | 0.0548 |
| Echinococcus multilocularis | fructose bisphosphate aldolase class I | 0.011 | 1 | 1 |
| Schistosoma mansoni | fructose 16-bisphosphate aldolase | 0.011 | 1 | 1 |
| Leishmania major | fructose-1,6-bisphosphate aldolase | 0.011 | 1 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0031 | 0.1574 | 0.1085 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0022 | 0.0548 | 0.5 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0031 | 0.1574 | 0.1574 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | > 50 uM | Cytotoxicity against human MCF7 cells after 72 hrs by MTS reduction assay | ChEMBL. | 20704331 |
| IC50 (functional) | > 50 uM | Cytotoxicity against human NCI-H460 cells after 72 hrs by MTS reduction assay | ChEMBL. | 20704331 |
| IC50 (functional) | > 50 uM | Cytotoxicity against human SF268 cells after 72 hrs by MTS reduction assay | ChEMBL. | 20704331 |
| MIC (functional) | = 6.25 ug ml-1 | Antifungal activity against Colletotrichum truncatum CE175 | ChEMBL. | 17112640 |
| MIC (functional) | = 6.25 ug ml-1 | Antifungal activity against Phomopsis longicolla Hobbs CE117 | ChEMBL. | 17112640 |
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: CHEMBL404034
- PubChem: 9993268
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.