Detailed information for compound 1676817

Basic information

Technical information
  • TDR Targets ID: 1676817
  • Name: N-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-di enylidene)amino]-3,4-dimethoxybenzamide
  • MW: 398.495 | Formula: C23H30N2O4
  • H donors: 1 H acceptors: 2 LogP: 4.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)N/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
  • InChi: 1S/C23H30N2O4/c1-22(2,3)16-12-15(13-17(20(16)26)23(4,5)6)24-25-21(27)14-9-10-18(28-7)19(11-14)29-8/h9-13H,1-8H3,(H,25,27)
  • InChiKey: JQRYETUNHBDRIW-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino]-3,4-dimethoxy-benzamide
  • N-[(3,5-ditert-butyl-4-keto-1-cyclohexa-2,5-dienylidene)amino]-3,4-dimethoxy-benzamide
  • ZINC00994953
  • AE-848/34779056

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 multilocularis endonuclease exonuclease phosphatase 0.0441 0.5991 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0309 0.4105 0.6852
Echinococcus granulosus SAM and MBT domain containing protein 0.0309 0.4105 0.6852
Brugia malayi mbt repeat family protein 0.0366 0.491 1
Echinococcus multilocularis polycomb protein SCMH1 0.0216 0.278 0.4641
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0255 0.334 0.5574
Loa Loa (eye worm) mbt repeat family protein 0.0225 0.29 0.5908
Schistosoma mansoni sex comb on midleg homolog 0.0216 0.278 0.278
Plasmodium vivax JmjC domain containing protein 0.0023 0.0023 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0085 0.0908 0.1515
Loa Loa (eye worm) hypothetical protein 0.0366 0.491 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0562 0.0938
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0255 0.334 0.5574
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0089 0.0969 0.1617
Toxoplasma gondii PLU-1 family protein 0.0034 0.0188 1
Echinococcus multilocularis chromobox protein 2 0.0154 0.1892 0.3157
Schistosoma mansoni phd finger protein 0.0032 0.0153 0.0153
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0441 0.5991 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0085 0.0908 0.1515
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0734 0.1226
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0089 0.0969 0.1617
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0366 0.491 1
Echinococcus granulosus histone acetyltransferase myst3 0.0032 0.0153 0.0255
Brugia malayi jmjC domain containing protein 0.0107 0.1223 0.2491
Plasmodium falciparum JmjC domain-containing protein, putative 0.0023 0.0023 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0107 0.1223 0.2491
Loa Loa (eye worm) hypothetical protein 0.0085 0.0908 0.1849
Echinococcus granulosus chromobox protein 2 0.0154 0.1892 0.3157
Echinococcus multilocularis histone acetyltransferase myst3 0.0032 0.0153 0.0255
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0085 0.0908 0.1849
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0085 0.0908 0.1515
Schistosoma mansoni hypothetical protein 0.0255 0.334 0.334
Schistosoma mansoni chromobox protein 0.0154 0.1892 0.1892
Schistosoma mansoni myelin transcription factor 1 myt1 0.0085 0.0908 0.0908
Schistosoma mansoni sex comb on midleg homolog 0.0216 0.278 0.278
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0309 0.4105 0.4105
Loa Loa (eye worm) MBCTL1 0.0085 0.0908 0.1849
Echinococcus multilocularis histone acetyltransferase MYST2 0.0085 0.0908 0.1515
Echinococcus granulosus polycomb protein SCMH1 0.0216 0.278 0.4641
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0734 0.0734
Brugia malayi mbt repeat family protein 0.0225 0.29 0.5908
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0734 0.0734

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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