Detailed information for compound 832919

Basic information

Technical information
  • TDR Targets ID: 832919
  • Name: ZINC05015556
  • MW: 418.463 | Formula: C20H22N2O6S
  • H donors: 0 H acceptors: 4 LogP: 2.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)N(S(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(cc1)OCC
  • InChi: 1S/C20H22N2O6S/c1-4-6-19(23)22(14-7-9-15(10-8-14)27-5-2)29(25,26)16-11-12-17-18(13-16)28-20(24)21(17)3/h7-13H,4-6H2,1-3H3
  • InChiKey: AKLRVTSCYOPFEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0284 0.1965 0.195
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0719 0.5775 0.5767
Trypanosoma cruzi katanin, putative 0.0062 0.0019 0.0000043848
Brugia malayi vesicle-fusing ATPase 0.0705 0.5648 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.114 0.9458 0.9458
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6771 0.6765
Loa Loa (eye worm) VCP protein 0.0497 0.3829 0.6779
Trypanosoma cruzi katanin, putative 0.0062 0.0019 0.0000043848
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0284 0.1965 0.195
Trypanosoma brucei Valosin-containing protein 0.114 0.9458 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0004 0.0007
Trypanosoma cruzi katanin, putative 0.0062 0.0019 0.0000043848
Loa Loa (eye worm) vps4b-prov protein 0.0062 0.0019 0.0034
Toxoplasma gondii cell division protein CDC48AP 0.0719 0.5775 0.5767
Trypanosoma cruzi vesicular transport protein (CDC48 homologue), putative 0.0062 0.0019 0.0000043848
Echinococcus granulosus tumor protein p63 0.0408 0.3049 0.3036
Trypanosoma cruzi metalloprotease, putative 0.0062 0.0019 0.0000043848
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.114 0.9458 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0497 0.3829 0.3817
Brugia malayi vps4b-prov protein 0.0062 0.0019 0.0026
Mycobacterium tuberculosis Putative conserved ATPase 0.0719 0.5775 0.5
Brugia malayi SAP1 protein 0.0062 0.0019 0.0026
Toxoplasma gondii cell division protein CDC48CY 0.1202 1 1
Loa Loa (eye worm) ATPase 0.0062 0.0019 0.0034
Entamoeba histolytica cdc48-like protein, putative 0.114 0.9458 1
Loa Loa (eye worm) vesicle-fusing ATPase 0.0705 0.5648 1
Brugia malayi fidgetin protein 0.0062 0.0019 0.0026
Schistosoma mansoni skd/vacuolar sorting 0.0062 0.0019 0.0019
Trypanosoma cruzi katanin, putative 0.0062 0.0019 0.0000043848
Mycobacterium ulcerans ATPase 0.0719 0.5775 0.5
Echinococcus multilocularis tumor protein p63 0.0408 0.3049 0.3036
Trypanosoma cruzi vacuolar transport protein 4A, putative 0.0062 0.0019 0.0000043848
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1202 1 1
Trypanosoma cruzi vacuolar protein sorting-associated protein 4, putative 0.0062 0.0019 0.0000043848
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.1202 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0004 0.0007
Loa Loa (eye worm) fidgetin protein 0.0062 0.0019 0.0034
Brugia malayi valosin containing protein 0.0705 0.5648 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0497 0.3829 0.3829
Loa Loa (eye worm) hypothetical protein 0.0705 0.5648 1
Giardia lamblia AAA family ATPase 0.0719 0.5775 1
Brugia malayi ATPase, AAA family protein 0.0062 0.0019 0.0026
Schistosoma mansoni hypothetical protein 0.0062 0.0019 0.0019
Trypanosoma cruzi Valosin-containing protein, putative 0.114 0.9458 1
Trichomonas vaginalis spermatogenesis associated factor, putative 0.1202 1 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.114 0.9458 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.1202 1 1
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.114 0.9458 1
Trypanosoma cruzi katanin, putative 0.0062 0.0019 0.0000043848
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6771 0.6765
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.114 0.9458 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6771 0.6771
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0497 0.3829 0.6776
Trypanosoma cruzi katanin-like protein, putative 0.0062 0.0019 0.0000043848

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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