Detailed information for compound 794381

Basic information

Technical information
  • TDR Targets ID: 794381
  • Name: 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimeth oxybenzoic acid
  • MW: 380.737 | Formula: C16H13ClN2O7
  • H donors: 2 H acceptors: 5 LogP: 3.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C(=O)O)c(cc1OC)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
  • InChi: 1S/C16H13ClN2O7/c1-25-13-6-9(16(21)22)11(7-14(13)26-2)18-15(20)8-3-4-10(17)12(5-8)19(23)24/h3-7H,1-2H3,(H,18,20)(H,21,22)
  • InChiKey: NJIDYCNKATVJHY-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(4-chloro-3-nitro-benzoyl)amino]-4,5-dimethoxy-benzoic acid
  • 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid
  • 2-[(4-chloro-3-nitro-phenyl)carbonylamino]-4,5-dimethoxy-benzoic acid
  • Oprea1_792138
  • A2897/0122009

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
Echinococcus granulosus vesicular acetylcholine transporter 0.1612 1 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0101 0.0101
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0059 0.0059
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0974 0.5949 0.5949
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0054 0.0101 0.0042
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.0945 0.0945
Brugia malayi mbt repeat family protein 0.0047 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0974 0.5949 0.5
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1612 1 1
Loa Loa (eye worm) MBCTL1 0.0054 0.0101 0.0042
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0101 0.0101
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0101 0.0101
Schistosoma mansoni vesicular acetylcholine transporter 0.1612 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0059 0.0059
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0101 0.0101
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.0945 0.0945
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0498 0.2922 0.288
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0059 0.0059
Echinococcus multilocularis vesicular acetylcholine transporter 0.1612 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1612 1 1
Loa Loa (eye worm) hypothetical protein 0.0974 0.5949 0.5925
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0059 0.0059
Leishmania major C-8 sterol isomerase-like protein 0.0974 0.5949 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0288 0.1588 0.1588
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0974 0.5949 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0059 0.0059
Brugia malayi mbt repeat family protein 0.0047 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0038 0 0.5

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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