Detailed information for compound 337158
Basic information
Technical information
- TDR Targets ID: 337158
- Name: 5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1 ,2,3-trimethylbenzene
- MW: 270.341 | Formula: C18H19FO
-
H donors: 0
H acceptors: 0
LogP: 5.36
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1F)/C=C\c1cc(C)c(c(c1)C)C
- InChi: 1S/C18H19FO/c1-12-9-16(10-13(2)14(12)3)6-5-15-7-8-18(20-4)17(19)11-15/h5-11H,1-4H3/b6-5-
- InChiKey: MZVXBMQFWPMYED-WAYWQWQTSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 5-[(Z)-2-(3-fluoro-4-methoxy-phenyl)vinyl]-1,2,3-trimethyl-benzene
- 5-[(Z)-2-(3-fluoro-4-methoxyphenyl)vinyl]-1,2,3-trimethylbenzene
- 5-[(Z)-2-(3-fluoro-4-methoxy-phenyl)ethenyl]-1,2,3-trimethyl-benzene
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | tubulin, beta 1 class VI | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Plasmodium falciparum | tubulin gamma chain | tubulin, beta 1 class VI | 451 aa | 438 aa | 32.2 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | RUN | 0.0101 | 0.14 | 0.124 |
| Giardia lamblia | Beta tubulin | 0.003 | 0.0183 | 0.5 |
| Echinococcus granulosus | Polycystic kidney disease protein | 0.0101 | 0.14 | 0.124 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.0101 | 0.14 | 0.124 |
| Plasmodium vivax | tubulin beta chain, putative | 0.003 | 0.0183 | 0.0032 |
| Loa Loa (eye worm) | doublecortin family protein | 0.0101 | 0.14 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0074 | 0.0944 | 0.0775 |
| Brugia malayi | Doublecortin family protein | 0.0101 | 0.14 | 1 |
| Brugia malayi | hypothetical protein | 0.0101 | 0.14 | 1 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Echinococcus multilocularis | arachidonate 5 lipoxygenase | 0.0604 | 1 | 1 |
| Schistosoma mansoni | polycystin 1-related | 0.0101 | 0.14 | 0.124 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Entamoeba histolytica | tubulin family protein | 0.003 | 0.0183 | 0.5 |
| Loa Loa (eye worm) | tubulin beta-2A chain | 0.003 | 0.0183 | 0.0032 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.003 | 0.0183 | 0.5 |
| Loa Loa (eye worm) | BEN-1 protein | 0.003 | 0.0183 | 0.0032 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Schistosoma mansoni | rab6-interacting | 0.0101 | 0.14 | 0.124 |
| Plasmodium falciparum | LCCL domain-containing protein | 0.0101 | 0.14 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0074 | 0.0944 | 0.0775 |
| Brugia malayi | beta-tubulin, identical | 0.003 | 0.0183 | 0.1308 |
| Schistosoma mansoni | loxhd1 | 0.0101 | 0.14 | 0.124 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0074 | 0.0944 | 0.6266 |
| Onchocerca volvulus | 0.0101 | 0.14 | 0.5 | |
| Plasmodium vivax | multidomain scavenger receptor, putative | 0.0101 | 0.14 | 1 |
| Loa Loa (eye worm) | beta-tubulin | 0.003 | 0.0183 | 0.0032 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0074 | 0.0944 | 0.0775 |
| Brugia malayi | hypothetical protein | 0.0101 | 0.14 | 1 |
| Brugia malayi | Tubulin beta-1 chain | 0.003 | 0.0183 | 0.1308 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.0101 | 0.14 | 0.124 |
| Giardia lamblia | Beta tubulin | 0.003 | 0.0183 | 0.5 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Brugia malayi | hypothetical protein | 0.003 | 0.0179 | 0.128 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Trypanosoma cruzi | beta tubulin, putative | 0.003 | 0.0183 | 1 |
| Brugia malayi | TAR-binding protein | 0.0074 | 0.0944 | 0.6744 |
| Trichomonas vaginalis | tubulin, putative | 0.003 | 0.0183 | 0.5 |
| Echinococcus multilocularis | Polycystic kidney disease protein | 0.0101 | 0.14 | 0.124 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Loa Loa (eye worm) | BEN-1 protein | 0.003 | 0.0183 | 0.0032 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.0101 | 0.14 | 0.124 |
| Schistosoma mansoni | hypothetical protein | 0.0101 | 0.14 | 0.124 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0074 | 0.0944 | 0.6744 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Trypanosoma brucei | beta tubulin | 0.003 | 0.0183 | 1 |
| Trichomonas vaginalis | tubulin gamma chain, putative | 0.003 | 0.0183 | 0.5 |
| Trypanosoma brucei | beta tubulin | 0.003 | 0.0183 | 1 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Trypanosoma brucei | beta tubulin | 0.003 | 0.0183 | 1 |
| Schistosoma mansoni | lipoxygenase | 0.0422 | 0.6893 | 0.6835 |
| Schistosoma mansoni | rab6-interacting | 0.0101 | 0.14 | 0.124 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Toxoplasma gondii | beta-tubulin, putative | 0.003 | 0.0183 | 1 |
| Trypanosoma brucei | beta tubulin | 0.003 | 0.0183 | 1 |
| Loa Loa (eye worm) | tubulin beta-4 chain | 0.003 | 0.0183 | 0.0032 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Plasmodium falciparum | tubulin beta chain | 0.003 | 0.0183 | 0.0032 |
| Loa Loa (eye worm) | tubulin beta-1 chain | 0.003 | 0.0183 | 0.0032 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0074 | 0.0944 | 0.0775 |
| Onchocerca volvulus | 0.0101 | 0.14 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0101 | 0.14 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.003 | 0.0183 | 0.5 |
| Loa Loa (eye worm) | RNA binding protein | 0.0074 | 0.0944 | 0.6266 |
| Loa Loa (eye worm) | hypothetical protein | 0.0101 | 0.14 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0074 | 0.0944 | 0.0775 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.003 | 0.0183 | 0.5 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0074 | 0.0944 | 0.0775 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0074 | 0.0944 | 0.0775 |
| Toxoplasma gondii | beta tubulin | 0.003 | 0.0183 | 1 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.0101 | 0.14 | 0.124 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Giardia lamblia | Beta tubulin | 0.003 | 0.0183 | 0.5 |
| Loa Loa (eye worm) | tubulin beta chain | 0.003 | 0.0183 | 0.0032 |
| Toxoplasma gondii | beta-1 tubulin, putative | 0.003 | 0.0183 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0074 | 0.0944 | 0.6266 |
| Schistosoma mansoni | lipoxygenase | 0.0604 | 1 | 1 |
| Leishmania major | beta tubulin | 0.003 | 0.0183 | 1 |
| Echinococcus multilocularis | RUN | 0.0101 | 0.14 | 0.124 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.003 | 0.0183 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0074 | 0.0944 | 0.6744 |
| Entamoeba histolytica | tubulin family protein | 0.003 | 0.0183 | 0.5 |
Activities
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
- PubChem: 10880163
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.