Detailed information for compound 878285

Basic information

Technical information
  • TDR Targets ID: 878285
  • Name: dimethyl 2-[(3-chlorophenyl)carbamoylamino]be nzene-1,4-dicarboxylate
  • MW: 362.764 | Formula: C17H15ClN2O5
  • H donors: 2 H acceptors: 3 LogP: 3.37 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1NC(=O)Nc1cccc(c1)Cl)C(=O)OC
  • InChi: 1S/C17H15ClN2O5/c1-24-15(21)10-6-7-13(16(22)25-2)14(8-10)20-17(23)19-12-5-3-4-11(18)9-12/h3-9H,1-2H3,(H2,19,20,23)
  • InChiKey: BQYNZYPDXZEFSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[(3-chlorophenyl)amino]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
  • 2-[(3-chlorophenyl)carbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester
  • ZINC00959236
  • ST5182674
  • Oprea1_379284

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
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.3243 1 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.3243 1 0.5
Onchocerca volvulus 0.0035 0 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1335 0.4052 0.4052
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3243 1 0.5
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0035 0 0.5
Echinococcus multilocularis protein dispatched 1 0.1335 0.4052 0.4052
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1522 0.4633 0.5
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus 0.0035 0 0.5
Schistosoma mansoni patched 1 0.1335 0.4052 0.4052
Onchocerca volvulus 0.0035 0 0.5
Brugia malayi CHE-14 protein 0.1335 0.4052 0.4052
Echinococcus granulosus Niemann Pick C1 protein 0.1335 0.4052 0.4052
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus 0.0035 0 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1522 0.4633 1
Onchocerca volvulus 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1335 0.4052 0.4052
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.3243 1 1
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus 0.0035 0 0.5
Echinococcus multilocularis protein patched 0.1335 0.4052 0.4052
Echinococcus multilocularis sterol regulatory element binding protein 0.1335 0.4052 0.4052
Onchocerca volvulus 0.0035 0 0.5
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.3243 1 1
Onchocerca volvulus 0.0035 0 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3243 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1522 0.4633 1
Loa Loa (eye worm) hypothetical protein 0.3243 1 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.3243 1 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.1335 0.4052 0.4052
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1522 0.4633 1
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus 0.0035 0 0.5
Onchocerca volvulus 0.0035 0 0.5
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.3243 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1335 0.4052 0.4052
Echinococcus granulosus Protein patched homolog 1 0.1335 0.4052 0.4052
Onchocerca volvulus Neuropeptide F receptor homolog 0.0035 0 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.1335 0.4052 0.4052

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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