Detailed information for compound 226181

Basic information

Technical information
  • TDR Targets ID: 226181
  • Name: 3,5-diaminobenzoic acid
  • MW: 152.151 | Formula: C7H8N2O2
  • H donors: 3 H acceptors: 2 LogP: 0.09 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(N)cc(c1)N
  • InChi: 1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)
  • InChiKey: UENRXLSRMCSUSN-UHFFFAOYSA-N  

Network

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Synonyms

  • 3,5-bis(azanyl)benzoic acid
  • Oprea1_662444
  • BENZOIC ACID,3,5-DIAMINO MFC7 H8 N2 O2
  • AIDS-022750
  • 32770_FLUKA
  • AIDS022750
  • InChI=1/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11
  • D12805_ALDRICH
  • 4-14-00-01304 (Beilstein Handbook Reference)
  • AI3-52307
  • BRN 2086484
  • Benzoic acid, 3,5-diamino-
  • CCRIS 2885
  • EINECS 208-621-0
  • ST5308020

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
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.7565 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.4387 0.5741 1
Trypanosoma cruzi AMP deaminase, putative 0.4387 0.5741 1
Echinococcus granulosus nmda type glutamate receptor 0.0107 0.0007 0.0007
Trypanosoma brucei AMP deaminase, putative 0.4387 0.5741 0.5
Entamoeba histolytica adenosine deaminase, putative 0.7565 1 1
Trypanosoma brucei AMP deaminase, putative 0.4387 0.5741 0.5
Onchocerca volvulus Adenosine deaminase homolog 0.7565 1 1
Leishmania major AMP deaminase, putative 0.4387 0.5741 0.3057
Trypanosoma cruzi AMP deaminase, putative 0.4387 0.5741 1
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.4387 0.5741 1
Trypanosoma brucei AMP deaminase, putative 0.4387 0.5741 0.5
Leishmania major adenine aminohydrolase 0.7565 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.0107 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.7565 1 1
Loa Loa (eye worm) hypothetical protein 0.4578 0.5997 0.5155
Mycobacterium ulcerans adenosine deaminase 0.7565 1 0.5
Schistosoma mansoni AMP deaminase 0.4387 0.5741 0.5733
Echinococcus multilocularis adenosine deaminase 0.7565 1 1
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.4387 0.5741 0.3057
Loa Loa (eye worm) AMP deaminase 0.4387 0.5741 0.4845
Echinococcus multilocularis nmda type glutamate receptor 0.0136 0.0046 0.0046
Treponema pallidum adenosine deaminase 0.7565 1 0.5
Schistosoma mansoni adenosine deaminase 0.7565 1 1
Loa Loa (eye worm) hypothetical protein 0.4578 0.5997 0.5155
Trypanosoma cruzi AMP deaminase, putative 0.4387 0.5741 1
Entamoeba histolytica adenosine deaminase, putative 0.7565 1 1
Trypanosoma cruzi AMP deaminase, putative 0.4387 0.5741 1
Onchocerca volvulus AMP deaminase 2 homolog 0.4387 0.5741 0.3057
Trypanosoma cruzi AMP deaminase, putative 0.4387 0.5741 1
Echinococcus granulosus nmda type glutamate receptor 0.0136 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.2987 0.3866 0.2575
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.7565 1 1
Schistosoma mansoni adenosine deaminase-related 0.7565 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.7565 1 0.5
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.7565 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.7565 1 0.5
Loa Loa (eye worm) hypothetical protein 0.4578 0.5997 0.5155
Echinococcus multilocularis AMP deaminase 2 0.4387 0.5741 0.5741
Plasmodium vivax adenosine deaminase, putative 0.7565 1 1
Echinococcus granulosus adenosine deaminase 0.7565 1 1
Plasmodium falciparum adenosine deaminase 0.7565 1 1
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.4387 0.5741 0.3057
Echinococcus granulosus AMP deaminase 2 0.4387 0.5741 0.5741
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.4387 0.5741 0.3057
Loa Loa (eye worm) hypothetical protein 0.4578 0.5997 0.5155
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.7565 1 0.5
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.4387 0.5741 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % In vitro inhibitory activity against H1N9 strain of Influenza neuraminidase (membrane) at 7 mM concentration ChEMBL. 9406595
Inhibition (binding) = 0 % 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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