Detailed information for compound 785140

Basic information

Technical information
  • TDR Targets ID: 785140
  • Name: methyl 4-[(E)-[[4-[(4-fluorophenyl)amino]-4-o xobutanoyl]hydrazinylidene]methyl]benzoate
  • MW: 371.362 | Formula: C19H18FN3O4
  • H donors: 2 H acceptors: 3 LogP: 1.87 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)C=NNC(=O)CCC(=O)Nc1ccc(cc1)F
  • InChi: 1S/C19H18FN3O4/c1-27-19(26)14-4-2-13(3-5-14)12-21-23-18(25)11-10-17(24)22-16-8-6-15(20)7-9-16/h2-9,12H,10-11H2,1H3,(H,22,24)(H,23,25)/b21-12+
  • InChiKey: RQKLMZPBDCDGAH-CIAFOILYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[(E)-[[4-[(4-fluorophenyl)amino]-4-oxo-butanoyl]hydrazono]methyl]benzoate
  • 4-[(E)-[[4-[(4-fluorophenyl)amino]-1,4-dioxobutyl]hydrazono]methyl]benzoic acid methyl ester
  • 4-[(E)-[[4-[(4-fluorophenyl)amino]-4-keto-butanoyl]hydrazono]methyl]benzoic acid methyl ester
  • methyl 4-[(E)-[[4-[(4-fluorophenyl)amino]-4-oxo-butanoyl]hydrazinylidene]methyl]benzoate

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 leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0112 0.2701 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.2307 1
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.3282 0.3282
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.2363 0.2363
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0242 0.0242
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0063 0.0928 0.2085
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.2307 0.2298
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0011 0.0011
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1089 0.108
Brugia malayi MH2 domain containing protein 0.0129 0.3282 1
Loa Loa (eye worm) RNA binding protein 0.0067 0.1089 0.1089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0607 0.0607
Schistosoma mansoni hypothetical protein 0.0042 0.0186 0.0186
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1089 0.1089
Schistosoma mansoni patched 1 0.0044 0.0242 0.0242
Brugia malayi CHE-14 protein 0.0044 0.0242 0.0736
Brugia malayi hypothetical protein 0.0037 0.0011 0.0034
Loa Loa (eye worm) IMP dehydrogenase 1 0.0112 0.2701 0.2701
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0112 0.2701 1
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0242 0.0231
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1089 0.1089
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0607 0.1849
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0112 0.2701 0.2701
Loa Loa (eye worm) hypothetical protein 0.0054 0.0607 0.0607
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.3282 0.3282
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0112 0.2701 0.823
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0242 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1089 0.1089
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.005 0.0461 0.1406
Onchocerca volvulus Putative GMP reductase 0.005 0.0461 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1089 0.1089
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.3859 0.3852
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.2307 0.7029
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0242 0.0231
Schistosoma mansoni hypothetical protein 0.0042 0.0186 0.0186
Brugia malayi RNA, U transporter 1 0.0084 0.1702 0.5187
Loa Loa (eye worm) hypothetical protein 0.0053 0.0591 0.0591
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0112 0.2701 0.5
Echinococcus granulosus expressed conserved protein 0.0095 0.2087 0.2079
Echinococcus granulosus tar DNA binding protein 0.0067 0.1089 0.108
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0112 0.2701 1
Trypanosoma cruzi lanosterol synthase, putative 0.0202 0.5894 1
Schistosoma mansoni hypothetical protein 0.0317 1 1
Brugia malayi GMP reductase 0.005 0.0461 0.1406
Echinococcus multilocularis snurportin 1 0.0317 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0044 0.0242 0.0242
Echinococcus multilocularis expressed conserved protein 0.0095 0.2087 0.2079
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0112 0.2701 0.5
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0112 0.2701 0.2693
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0134 0.3479 1
Toxoplasma gondii IMP dehydrogenas 0.0112 0.2701 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1089 0.1089
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0112 0.2701 0.2693
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1089 0.332
Echinococcus multilocularis protein dispatched 1 0.005 0.0461 0.045
Leishmania major lanosterol synthase, putative 0.0202 0.5894 1
Trypanosoma cruzi lanosterol synthase, putative 0.0202 0.5894 1
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.3859 0.3852
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 1 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0112 0.2701 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0607 0.1849
Brugia malayi RNA binding protein 0.0067 0.1089 0.332
Schistosoma mansoni hypothetical protein 0.0042 0.0186 0.0186
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0112 0.2701 0.6949
Echinococcus multilocularis protein patched 0.0044 0.0242 0.0231
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1089 0.1089
Schistosoma mansoni hypothetical protein 0.0042 0.0186 0.0186
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0242 0.0231
Brugia malayi TAR-binding protein 0.0067 0.1089 0.332
Trypanosoma brucei lanosterol synthase 0.0202 0.5894 1
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1089 0.1089
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.2307 0.2298
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.005 0.0461 0.1406
Loa Loa (eye worm) hypothetical protein 0.0101 0.2307 0.2307
Loa Loa (eye worm) GMP reductase 0.005 0.0461 0.0461

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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