Detailed information for compound 622870

Basic information

Technical information
  • TDR Targets ID: 622870
  • Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2 -yl]-4-nitrobenzamide
  • MW: 386.382 | Formula: C17H14N4O5S
  • H donors: 1 H acceptors: 5 LogP: 2.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)c1nnc(s1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H14N4O5S/c1-25-12-7-8-13(14(9-12)26-2)16-19-20-17(27-16)18-15(22)10-3-5-11(6-4-10)21(23)24/h3-9H,1-2H3,(H,18,20,22)
  • InChiKey: PLIFNGJCADPQLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide
  • T0507-9196
  • Oprea1_018458
  • ZINC03227453

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
Onchocerca volvulus 0.0033 0 0.5
Brugia malayi Coelomocyte uptake defective protein 5 0.0063 0.0628 0.0628
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0417 0.1389
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0417 0.6643
Onchocerca volvulus 0.0033 0 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0006 0.0099
Echinococcus multilocularis mucolipin 3 0.0063 0.0628 0.2091
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0006 0.0006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0417 0.1389
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0033 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0321 0.0321
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0178 0.3003 1
Schistosoma mansoni mucolipin 0.0058 0.0519 0.8266
Loa Loa (eye worm) hypothetical protein 0.0048 0.0321 0.0321
Schistosoma mansoni mucolipin 0.0063 0.0628 1
Echinococcus granulosus mucolipin 3 0.0063 0.0628 0.2091
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0417 0.0417
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0417 0.1389
Onchocerca volvulus 0.0033 0 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0178 0.3003 1
Brugia malayi follicle stimulating hormone receptor 0.0224 0.3952 0.3952
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0178 0.3003 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0178 0.3003 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0517 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0033 0 0.5
Onchocerca volvulus 0.0033 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.3952 0.3952
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0321 0.0321
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0033 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0417 0.6643
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0417 0.0417
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0321 0.0321
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0033 0 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0178 0.3003 1
Loa Loa (eye worm) mucolipin 1 0.0063 0.0628 0.0628
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0417 0.6643
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0417 0.1389
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0033 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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