Detailed information for compound 549394

Basic information

Technical information
  • TDR Targets ID: 549394
  • Name: sodium 5-ethyl-6-methyl-4-phenyl-cyclohex-3-e ne-1-carboxylate
  • MW: 267.319 | Formula: C16H20NaO2
  • H donors: 0 H acceptors: 2 LogP: 4.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1C(C)C(CC=C1c1ccccc1)C(=O)[O-].[NaH+]
  • InChi: 1S/C16H20O2.Na/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12;/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18);/q;+1/p-1
  • InChiKey: PIFVVPYZGHCUTH-UHFFFAOYSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • sodium 5-ethyl-6-methyl-4-phenyl-1-cyclohex-3-enecarboxylate
  • sodium 5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylate
  • fenestrel
  • 16550-39-3
  • 7698-97-7
  • 2-Methyl-3-ethyl-4-phenyl-delta(sup 4)-cyclohexene carboxylic acid sodium salt
  • 3-Cyclohexene-1-carboxylic acid, 5-ethyl-6-methyl-4-phenyl-, sodium salt
  • 3-Ethyl-2-methyl-4-phenyl-4-cyclohexenecarboxylic acid sodium salt
  • 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid sodium salt
  • Mebane sodium salt
  • ORF-4563

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
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0101 0.7665 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5023 0.5023
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1848 0.2215
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1848 0.2215
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.9418 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Schistosoma mansoni hypothetical protein 0.0033 0.1702 0.1702
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1702 0.204
Toxoplasma gondii thioredoxin reductase 0.004 0.2288 1
Trichomonas vaginalis rotamase, putative 0.0034 0.1738 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0109 0.8342 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0101 0.7665 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.5023 0.5333
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5023 0.5023
Echinococcus multilocularis short transient receptor potential channel 6 0.0072 0.5107 0.6122
Echinococcus multilocularis transient receptor potential ion channel A 0.0105 0.8023 0.9618
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0668 0.2922
Echinococcus granulosus short transient receptor potential channel 6 0.0072 0.5107 0.6122
Echinococcus granulosus dna polymerase eta 0.0021 0.0668 0.0801
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0668 0.0668
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Brugia malayi glutathione reductase 0.004 0.2288 0.243
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.2335 0.2799
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.1738 0.1223
Echinococcus granulosus expressed protein 0.0034 0.1738 0.2084
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.1669 0.7294
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0668 1
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.1669 0.7294
Schistosoma mansoni transient receptor potential channel 0.0072 0.5107 0.5107
Trypanosoma brucei unspecified product 0.0015 0.0084 0.0369
Leishmania major DNA polymerase eta, putative 0.0021 0.0668 0.2922
Brugia malayi hypothetical protein 0.0035 0.1848 0.1962
Echinococcus granulosus short transient receptor potential channel 6 0.0072 0.5107 0.6122
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.8 0.8494
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.6774 0.8837
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.5085 0.5399
Schistosoma mansoni hypothetical protein 0.0035 0.1848 0.1848
Trichomonas vaginalis rotamase, putative 0.0033 0.1669 0.96
Schistosoma mansoni transient receptor potential channel 4 0.0109 0.8342 0.8342
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Trypanosoma brucei trypanothione reductase 0.004 0.2288 1
Plasmodium vivax glutathione reductase, putative 0.004 0.2288 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0084 0.0369
Echinococcus granulosus transient receptor potential ion channel A 0.0105 0.8023 0.9618
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0668 0.071
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0668 0.0801
Plasmodium falciparum glutathione reductase 0.004 0.2288 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0668 0.2922
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0668 0.2922
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0668 0.3845
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.6774 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5023 0.5023
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.9418 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Mycobacterium tuberculosis Probable reductase 0.0091 0.6774 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0668 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0072 0.5107 0.6122
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0668 0.3845
Loa Loa (eye worm) TAR-binding protein 0.0071 0.5023 0.4977
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0668 0.0872
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0084 0.0369
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.2288 0.2985
Brugia malayi Transient-receptor-potential like protein 0.004 0.234 0.2485
Entamoeba histolytica hypothetical protein 0.0035 0.1848 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0668 0.0668
Schistosoma mansoni DNA polymerase eta 0.0021 0.0668 0.0668
Giardia lamblia DINP protein human, muc B family 0.0021 0.0668 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.1669 0.7294
Schistosoma mansoni transient receptor potential channel 0.0072 0.5107 0.5107
Entamoeba histolytica hypothetical protein 0.0035 0.1848 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.1669 0.8483
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5023 0.5023
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0668 0.0872
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.8 0.8494
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0668 0.0801
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.6774 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.1738 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0668 0.0801
Entamoeba histolytica hypothetical protein 0.0035 0.1848 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.8 0.8379
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.5023 0.4977
Plasmodium falciparum thioredoxin reductase 0.004 0.2288 1
Entamoeba histolytica hypothetical protein 0.0035 0.1848 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.5085 0.5047
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.6774 0.8837
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0668 0.2922
Brugia malayi RNA binding protein 0.0071 0.5023 0.5333
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.2335 0.2799
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1702 0.204
Mycobacterium tuberculosis Probable oxidoreductase 0.0101 0.7665 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0668 0.0801
Loa Loa (eye worm) hypothetical protein 0.0068 0.4788 0.4709
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0084 0.0369
Loa Loa (eye worm) glutathione reductase 0.004 0.2288 0.1851
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Schistosoma mansoni hypothetical protein 0.0033 0.1702 0.1702
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.1738 0.1846
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0101 0.7665 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.6774 0.8837
Schistosoma mansoni transient receptor potential channel 0.0109 0.8342 0.8342
Echinococcus multilocularis TRP (transient receptor potential) channel 0.004 0.234 0.2806
Echinococcus granulosus GPCR family 2 0.0033 0.1702 0.204
Echinococcus granulosus TRP transient receptor potential channel 0.004 0.234 0.2806
Trypanosoma brucei unspecified product 0.0015 0.0084 0.0369
Loa Loa (eye worm) hypothetical protein 0.004 0.234 0.1911
Brugia malayi MH2 domain containing protein 0.0121 0.9418 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1702 0.1807
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5023 0.5023
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0668 0.2922
Echinococcus granulosus tar DNA binding protein 0.0071 0.5023 0.6021
Trypanosoma brucei unspecified product 0.0021 0.0668 0.2922
Schistosoma mansoni rotamase 0.0034 0.1738 0.1738
Plasmodium vivax thioredoxin reductase, putative 0.004 0.2288 1
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.2288 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1702 0.1181
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.1669 0.7294
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0668 0.2922
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0668 0.071
Echinococcus multilocularis expressed protein 0.0034 0.1738 0.2084
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1702 0.204
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.1669 0.7294
Brugia malayi Thioredoxin reductase 0.004 0.2288 0.243
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1702 0.204
Echinococcus multilocularis dna polymerase eta 0.0021 0.0668 0.0801
Leishmania major trypanothione reductase 0.004 0.2288 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1702 0.1807
Echinococcus granulosus transient receptor potential gamma protein 0.0109 0.8342 1
Treponema pallidum NADH oxidase 0.0014 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Schistosoma mansoni hypothetical protein 0.0072 0.5085 0.5085
Leishmania major DNA polymerase kappa, putative 0.0021 0.0668 0.2922
Schistosoma mansoni hypothetical protein 0.0033 0.1702 0.1702
Brugia malayi TAR-binding protein 0.0071 0.5023 0.5333
Loa Loa (eye worm) thioredoxin reductase 0.004 0.2288 0.1851
Schistosoma mansoni hypothetical protein 0.0033 0.1702 0.1702
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1702 0.1181
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1848 0.1848
Loa Loa (eye worm) hypothetical protein 0.0037 0.2022 0.1547
Echinococcus multilocularis tar DNA binding protein 0.0071 0.5023 0.6021
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.8 0.8379
Loa Loa (eye worm) hypothetical protein 0.0109 0.8342 0.877
Loa Loa (eye worm) RNA binding protein 0.0071 0.5023 0.4977
Echinococcus multilocularis GPCR, family 2 0.0033 0.1702 0.204

Activities

No activities found for this compound.

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.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.