Detailed information for compound 645731

Basic information

Technical information
  • TDR Targets ID: 645731
  • Name: 4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene ]methyl]benzoic acid
  • MW: 312.32 | Formula: C17H16N2O4
  • H donors: 2 H acceptors: 3 LogP: 2.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(c1ccccc1)C(=O)N/N=C/c1ccc(cc1)C(=O)O
  • InChi: 1S/C17H16N2O4/c1-23-15(13-5-3-2-4-6-13)16(20)19-18-11-12-7-9-14(10-8-12)17(21)22/h2-11,15H,1H3,(H,19,20)(H,21,22)/b18-11+
  • InChiKey: YODSURPUHJQYMM-WOJGMQOQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(E)-[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]benzoic acid
  • 4-[(E)-[(2-methoxy-2-phenyl-acetyl)hydrazono]methyl]benzoic acid
  • 4-[[(2-methoxy-2-phenyl-acetyl)hydrazono]methyl]benzoic acid
  • 4-[(E)-[(2-methoxy-1-oxo-2-phenylethyl)hydrazono]methyl]benzoic acid
  • 4-[[(2-methoxy-1-oxo-2-phenylethyl)hydrazono]methyl]benzoic acid
  • 4-[(E)-[(2-methoxy-2-phenyl-ethanoyl)hydrazinylidene]methyl]benzoic acid
  • 4-[[(2-methoxy-2-phenyl-ethanoyl)hydrazinylidene]methyl]benzoic acid

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1131 0.2706
Trichomonas vaginalis fk506-binding protein, putative 0.0023 0.0478 0.1165
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.006 0.0147
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0164 0.4103 0.4086
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0289 0.0262
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Schistosoma mansoni hypothetical protein 0.0033 0.0741 0.074
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.3479 0.8469
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0023 0.0478 0.1105
Loa Loa (eye worm) hypothetical protein 0.0015 0.0289 0.0641
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0164 0.4103 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0164 0.4103 1
Schistosoma mansoni hypothetical protein 0.0015 0.0289 0.0288
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0741 0.1751
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0478 0.1165
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0864 0.1066
Schistosoma mansoni hypothetical protein 0.0015 0.0289 0.0288
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0076 0.0048
Trichomonas vaginalis fk506-binding protein, putative 0.0023 0.0478 0.1165
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0023 0.0478 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0164 0.4103 0.4086
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0864 0.1066
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0023 0.0478 0.1105
Schistosoma mansoni hypothetical protein 0.0015 0.0289 0.0288
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0023 0.0478 0.1105
Schistosoma mansoni cpg binding protein 0.0029 0.0649 0.0648
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.006 0.0147
Schistosoma mansoni immunophilin 0.0142 0.3524 0.3523
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0076 0.0048
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.006 0.0147
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0478 0.1165
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.3378 0.336
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.006 0.0147
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0164 0.4103 1
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0116 0.0217
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0289 0.0262
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0119 0.0224
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0023 0.0478 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Schistosoma mansoni bromodomain containing protein 0.0005 0.0028 0.0026
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0142 0.3524 0.3506
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0023 0.0478 0.0452
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.3479 0.3461
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0023 0.0478 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0164 0.4103 1
Schistosoma mansoni hypothetical protein 0.0395 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0164 0.4103 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0119 0.0092
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0076 0.0048
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1131 0.2706
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Trichomonas vaginalis fk506 binding protein, putative 0.0023 0.0478 0.1165
Trichomonas vaginalis immunophilin, putative 0.0164 0.4103 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.006 0.0147
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0023 0.0478 0.1159
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0164 0.4103 1
Echinococcus granulosus FK506 binding protein 2 0.0023 0.0478 0.0452
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0164 0.4103 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0478 0.1105
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0289 0.0641
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1131 0.2706
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0164 0.4103 0.4102
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0952 0.0927
Loa Loa (eye worm) acetyltransferase 0.014 0.3479 0.8469
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0023 0.0478 0.1105
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0952 0.5559
Schistosoma mansoni cpg binding protein 0.0029 0.0649 0.0648
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.006 0.0147
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.006 0.0147
Leishmania major fk506-binding protein 1-like protein 0.0164 0.4103 1
Echinococcus multilocularis fk506 binding protein 0.0164 0.4103 0.4086
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0164 0.4103 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0164 0.4103 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0164 0.4103 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.006 0.0147
Loa Loa (eye worm) FKBP5 protein 0.0164 0.4103 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0164 0.4103 0.4086
Echinococcus multilocularis 0.0023 0.0478 0.0452
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0609 0.1426
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0119 0.0092
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0023 0.0478 0.1105
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0023 0.0478 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0164 0.4103 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0289 0.0262
Schistosoma mansoni bromodomain containing protein 0.0005 0.0028 0.0026
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0164 0.4103 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0023 0.0478 0.1105
Brugia malayi CXXC zinc finger family protein 0.0028 0.0609 0.1426
Schistosoma mansoni hypothetical protein 0.0023 0.0478 0.0477
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0952 0.2321
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.3479 0.3478
Leishmania major peptidylprolyl isomerase-like protein 0.0164 0.4103 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Echinococcus multilocularis dnaJ subfamily B 0.0395 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0952 0.2316
Trichomonas vaginalis fk506-binding protein, putative 0.0164 0.4103 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0289 0.0641
Loa Loa (eye worm) hypothetical protein 0.0142 0.3524 0.8581
Schistosoma mansoni zinc finger protein 0.0005 0.0028 0.0026
Echinococcus granulosus cpg binding protein 0.0029 0.0649 0.0623
Schistosoma mansoni hypothetical protein 0.0015 0.0289 0.0288
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0952 0.5559
Schistosoma mansoni immunophilin 0.0164 0.4103 0.4102
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0076 0.0048
Loa Loa (eye worm) hypothetical protein 0.0048 0.1131 0.2706
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.006 0.0147
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0023 0.0478 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0076 0.0074
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0164 0.4103 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0741 0.1751
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0164 0.4103 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0142 0.3524 0.3506
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0164 0.4103 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0023 0.0478 0.0452
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0164 0.4103 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0952 0.2321
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0289 0.0641
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1331 1
Schistosoma mansoni immunophilin 0.0164 0.4103 0.4102
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0864 0.1066
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0289 0.0262
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0164 0.4103 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0164 0.4103 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0164 0.4103 1
Trichomonas vaginalis helicase, putative 0.0006 0.006 0.0147
Schistosoma mansoni fk506 binding protein 0.0023 0.0478 0.0477
Echinococcus granulosus GPCR family 2 0.0015 0.0289 0.0262
Onchocerca volvulus 0.0028 0.0609 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0289 0.0262
Schistosoma mansoni cpg binding protein 0.0028 0.0609 0.0608
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1404 0.1403
Echinococcus multilocularis cpg binding protein 0.0029 0.0649 0.0623

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.

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