Detailed information for compound 876198

Basic information

Technical information
  • TDR Targets ID: 876198
  • Name: methyl 3-[[2-fluoro-5-(trifluoromethyl)phenyl ]methylcarbamoylamino]benzoate
  • MW: 370.298 | Formula: C17H14F4N2O3
  • H donors: 2 H acceptors: 2 LogP: 3.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cccc(c1)NC(=O)NCc1cc(ccc1F)C(F)(F)F
  • InChi: 1S/C17H14F4N2O3/c1-26-15(24)10-3-2-4-13(8-10)23-16(25)22-9-11-7-12(17(19,20)21)5-6-14(11)18/h2-8H,9H2,1H3,(H2,22,23,25)
  • InChiKey: VYVJSULVEODEQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester
  • 3-[[2-fluoro-5-(trifluoromethyl)benzyl]carbamoylamino]benzoic acid methyl ester

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 Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0372 1 0.5
Onchocerca volvulus 0.004 0.0794 0.0794
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1125 0.1055
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.1125 0.1125
Onchocerca volvulus 0.025 0.6605 0.6605
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.1125 0.1125
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0372 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0372 1 1
Plasmodium vivax RNA helicase-1, putative 0.0372 1 0.5
Onchocerca volvulus 0.0014 0.0078 0.0078
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0372 1 1
Trypanosoma brucei protein kinase, putative 0.0052 0.1125 0.0882
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.1125 0.1055
Echinococcus granulosus aryl hydrocarbon receptor 0.0014 0.0078 0.0078
Mycobacterium leprae Possible regulatory protein 0.0014 0.0078 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0372 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.1125 0.1125
Plasmodium falciparum eukaryotic initiation factor 4A 0.0372 1 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0014 0.0091 0.0013
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.1125 0.1055
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0014 0.0091 0.0013
Echinococcus multilocularis aryl hydrocarbon receptor 0.0014 0.0078 0.0078
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.1073 0.1073
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0372 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.1125 0.1125
Leishmania major eukaryotic initiation factor 4a, putative 0.0372 1 1
Leishmania major protein kinase, putative 0.0014 0.0091 0.0013
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1125 0.1055
Loa Loa (eye worm) hypothetical protein 0.0181 0.4697 0.4697
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0014 0.0078 0.0078
Treponema pallidum ATP-dependent RNA helicase 0.0372 1 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.1125 0.1125
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1125 0.1055
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0372 1 1
Brugia malayi Cytochrome P450 family protein 0.0021 0.0267 0.0267
Brugia malayi Pax transcription factor protein 2 0.025 0.6605 0.6605
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0372 1 1
Brugia malayi Cytochrome P450 family protein 0.005 0.1073 0.1073
Brugia malayi bHLH-PAS transcription factor 0.004 0.0794 0.0794
Mycobacterium ulcerans putative regulatory protein 0.004 0.0794 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0372 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0372 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0372 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0267 0.0267
Brugia malayi Cytochrome P450 family protein 0.0021 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0054 0.1182 0.1182
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0372 1 1
Loa Loa (eye worm) CYP4Cod1 0.0021 0.0267 0.0267
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1125 0.1055
Brugia malayi hypothetical protein 0.0181 0.4697 0.4697
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0014 0.0078 0.0078
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0014 0.0078 0.0078
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0014 0.0078 0.0078
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.1125 0.1125
Brugia malayi MAP kinase sur-1 0.0052 0.1125 0.1125
Loa Loa (eye worm) pax transcription factor protein 2 0.025 0.6605 0.6605
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0372 1 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0372 1 1
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0014 0.0091 0.0013
Schistosoma mansoni single-minded 0.0054 0.1182 0.1182
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0014 0.0091 0.0013
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1125 0.1055
Leishmania major cytochrome p450-like protein 0.0021 0.0267 0.019
Leishmania major eukaryotic initiation factor 4a, putative 0.0372 1 1
Brugia malayi hypoxia-induced factor 1 0.0167 0.4309 0.4309
Leishmania major protein kinase, putative 0.0014 0.0091 0.0013
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1125 0.1055
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.1125 0.1055
Echinococcus granulosus single minded 2 0.004 0.0794 0.0794
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0372 1 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0014 0.0078 0.5
Brugia malayi PAS domain containing protein 0.0054 0.1182 0.1182
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0267 0.019
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0267 0.019
Loa Loa (eye worm) hypoxia-induced factor 1 0.0167 0.4309 0.4309
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.1125 0.1055
Echinococcus multilocularis transfer RNA-Lys 0.004 0.0794 0.0794
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0372 1 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0372 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.1125 0.0882

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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