Detailed information for compound 224206

Basic information

Technical information
  • TDR Targets ID: 224206
  • Name: 4-[(diaminomethylideneamino)methyl]benzoic ac id
  • MW: 193.203 | Formula: C9H11N3O2
  • H donors: 3 H acceptors: 2 LogP: 0.08 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NCc1ccc(cc1)C(=O)O
  • InChi: 1S/C9H11N3O2/c10-9(11)12-5-6-1-3-7(4-2-6)8(13)14/h1-4H,5H2,(H,13,14)(H4,10,11,12)
  • InChiKey: ZWKIKIJKGFTAAM-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(guanidinomethyl)benzoic acid
  • 4-[[bis(azanyl)methylideneamino]methyl]benzoic acid
  • AIDS-169343
  • AIDS169343
  • Benzoic acid, 4-[[(aminoiminomethyl)amino]methyl]-

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
Schistosoma mansoni fad oxidoreductase 0.0131 0.0797 0.0794
Schistosoma mansoni intermediate filament proteins 0.0011 0.0034 0.0031
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0131 0.0797 0.5
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0131 0.0797 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.005
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0099 0.0592 0.0592
Trichomonas vaginalis glucosylceramidase, putative 0.011 0.0665 1
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0131 0.0797 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0004 0.0004
Echinococcus granulosus lamin 0.0011 0.0034 0.0385
Brugia malayi follicle stimulating hormone receptor 0.0099 0.0592 0.7429
Trichomonas vaginalis glucosylceramidase, putative 0.011 0.0665 1
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0131 0.0797 1
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0131 0.0797 0.0794
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.1567 1 1
Toxoplasma gondii hypothetical protein 0.0131 0.0797 0.5
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0131 0.0797 0.5
Echinococcus multilocularis lamin dm0 0.0011 0.0034 0.0385
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0131 0.0797 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0131 0.0797 0.5
Loa Loa (eye worm) intermediate filament protein 0.0011 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0034
Echinococcus granulosus lamin dm0 0.0011 0.0034 0.0385
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0131 0.0797 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0131 0.0797 0.5
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0131 0.0797 1
Brugia malayi RE18450p 0.0131 0.0797 1
Brugia malayi intermediate filament protein 0.0011 0.0034 0.0428
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0011 0.0034 0.0034
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0131 0.0797 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0011 0.0034 0.0428
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0131 0.0797 0.0794
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0131 0.0797 0.5
Schistosoma mansoni d-amino acid oxidase 0.1567 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0131 0.0797 0.0797
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1437 0.9163 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0131 0.0797 0.5
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0131 0.0797 0.0797
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0131 0.0797 1
Onchocerca volvulus Glucosylceramidase homolog 0.0072 0.0423 0.5092
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0131 0.0797 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0015 0.0054 0.0672
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0131 0.0797 1
Trichomonas vaginalis glucosylceramidase, putative 0.011 0.0665 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0131 0.0797 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0131 0.0797 0.5
Leishmania major hypothetical protein, conserved 0.0131 0.0797 0.5
Brugia malayi Latrophilin receptor protein 2 0.0007 0.0004 0.0045
Schistosoma mansoni lamin 0.0011 0.0034 0.0031
Schistosoma mansoni fad oxidoreductase 0.0131 0.0797 0.0794
Schistosoma mansoni NAD dehydrogenase 0.0131 0.0797 0.0794
Trichomonas vaginalis glucosylceramidase, putative 0.011 0.0665 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.011 0.0665 0.834
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0131 0.0797 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0033 0.0033
Trichomonas vaginalis glucosylceramidase, putative 0.011 0.0665 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0007 0.0004 0.0045
Loa Loa (eye worm) hypothetical protein 0.0131 0.0797 0.0797
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0131 0.0797 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0021 0.0097 0.1211
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0131 0.0797 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0131 0.0797 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.0797 0.0797
Echinococcus multilocularis lamin 0.0011 0.0034 0.0385
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.011 0.0665 0.0665
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0021 0.0097 0.0097
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0131 0.0797 0.5
Echinococcus multilocularis musashi 0.0011 0.0034 0.0385
Trichomonas vaginalis glucosylceramidase, putative 0.011 0.0665 1
Leishmania major hypothetical protein, conserved 0.0131 0.0797 0.5
Echinococcus granulosus intermediate filament protein 0.0011 0.0034 0.0385
Mycobacterium ulcerans D-amino acid oxidase Aao 0.1567 1 1
Brugia malayi cDNA sequence BC016226 0.0131 0.0797 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0131 0.0797 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0054 0.0054
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0131 0.0797 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0131 0.0797 0.5
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0131 0.0797 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0131 0.0797 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0007 0.0004 0.0004
Onchocerca volvulus Putative fad oxidoreductase 0.0131 0.0797 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0021 0.0097 0.1211
Trichomonas vaginalis glucosylceramidase, putative 0.0076 0.0448 0.1027
Schistosoma mansoni lamin 0.0011 0.0034 0.0031
Trichomonas vaginalis glucosylceramidase, putative 0.0076 0.0448 0.1027

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 14 % In vitro inhibitory activity against H1N9 strain of Influenza neuraminidase (membrane) at 7 mM concentration ChEMBL. 9406595
Inhibition (binding) = 14 % In vitro inhibitory activity against H1N9 strain of Influenza neuraminidase (membrane) at 7 mM concentration ChEMBL. 9406595

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

1 literature reference was collected for this gene.

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