Detailed information for compound 808468

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.542 | Formula: C20H24F2N2O5S2
  • H donors: 1 H acceptors: 3 LogP: 2.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C2)Cc1ccc(c(c1)F)F)C
  • InChi: 1S/C20H24F2N2O5S2/c1-12(11-28-2)23-31(26,27)20-18(19(25)29-3)14-6-7-24(10-17(14)30-20)9-13-4-5-15(21)16(22)8-13/h4-5,8,12,23H,6-7,9-11H2,1-3H3
  • InChiKey: IXDVPEBGPNWSCK-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
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0219 0.8326 0.829
Trypanosoma brucei calcium-translocating P-type ATPase 0.009 0.1975 0.8465
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.01 0.2493 1
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0215 0.8112 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0096 0.2279 0.8985
Trypanosoma brucei calcium motive p-type ATPase, putative 0.009 0.1975 0.8465
Brugia malayi E1-E2 ATPase family protein 0.0061 0.0595 0.0389
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0213 0.8017 0.8048
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0094 0.2208 0.0311
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0051 0.0078 0.0311
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0243 0.9482 0.9355
Echinococcus multilocularis neutral amino acid transporter A 0.0213 0.8017 0.8048
Echinococcus granulosus calcium transporting ATPase type 2C member 0.01 0.2493 0.069
Trypanosoma brucei P-type H+-ATPase, putative 0.0057 0.0381 0.0402
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.009 0.1975 0.8465
Leishmania major calcium-translocating P-type ATPase 0.0096 0.2279 1
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0055 0.0302 0.0089
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0094 0.2208 0.0291
Echinococcus granulosus neutral amino acid transporter A 0.0213 0.8017 0.8048
Echinococcus multilocularis neutral amino acid transporter A 0.0213 0.8017 0.8048
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.2279 0.8985
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0096 0.2279 1
Plasmodium vivax calcium-transporting ATPase, putative 0.01 0.2493 0.5
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.01 0.2493 0.069
Echinococcus granulosus neutral amino acid transporter A 0.0213 0.8017 0.8048
Loa Loa (eye worm) excitatory amino acid transporter 0.0213 0.8017 0.7973
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Schistosoma mansoni ATPase 0.0096 0.2279 0.0378
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0096 0.2279 0.0404
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.01 0.2493 0.069
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0094 0.2208 0.0311
Trypanosoma cruzi P-type H+-ATPase, putative 0.0057 0.0381 0.0402
Loa Loa (eye worm) hypothetical protein 0.0096 0.2279 0.211
Echinococcus granulosus sodium:dicarboxylate symporter 0.0213 0.8017 0.8048
Echinococcus granulosus Excitatory amino acid transporter 0.0213 0.8017 0.8048
Plasmodium vivax P-type ATPase4, putative 0.01 0.2493 0.5
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0243 0.9482 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0096 0.2279 0.914
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.01 0.2493 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0213 0.8017 0.8048
Leishmania major calcium-transporting ATPase, putative 0.009 0.1975 0.8401
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0096 0.2279 0.0671
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0094 0.2208 0.0291
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.01 0.2493 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0213 0.8017 0.8048
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.009 0.1975 0.8465
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.009 0.1975 0.7549
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0096 0.2279 0.8985
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0213 0.8017 0.5
Leishmania major calcium motive p-type ATPase, putative 0.009 0.1975 0.8401
Echinococcus multilocularis excitatory amino acid transporter 3 0.0213 0.8017 0.8048
Trypanosoma brucei P-type H+-ATPase, putative 0.0057 0.0381 0.0402
Echinococcus multilocularis neutral amino acid transporter A 0.0213 0.8017 0.8048
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0096 0.2279 0.914
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.01 0.2493 0.069
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0096 0.2279 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.6989 0.6923
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0096 0.2279 0.0404
Leishmania major P-type ATPase, putative 0.009 0.1975 0.8401
Trichomonas vaginalis cation-transporting ATPase, putative 0.0096 0.2279 0.8985
Brugia malayi Membrane calcium atpase protein 3 0.009 0.1975 0.1799
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0253 1 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0096 0.2279 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.2279 0.8985
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0096 0.2279 1
Echinococcus granulosus neutral amino acid transporter 0.0213 0.8017 0.8048
Loa Loa (eye worm) E1-E2 ATPase 0.0057 0.0381 0.017
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0213 0.8017 0.7529
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.2279 0.8985
Echinococcus multilocularis Excitatory amino acid transporter 0.0213 0.8017 0.8048
Loa Loa (eye worm) hypothetical protein 0.0055 0.0302 0.0089
Brugia malayi Excitatory amino acid transporter 0.0213 0.8017 0.7973
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0096 0.2279 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.009 0.1975 0.7549
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.01 0.2493 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.2279 0.8985
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0054 0.0214 0.086
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0253 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0213 0.8017 0.8048
Treponema pallidum glutamate/aspartate transporter 0.0094 0.2208 0.5
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0096 0.2279 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0249 0.9786 1
Echinococcus granulosus Na:K ATPase alpha subunit 0.0243 0.9482 1
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0096 0.2279 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.5092 0.4984
Schistosoma mansoni ATPase 0.0096 0.2279 0.0378
Echinococcus granulosus excitatory amino acid transporter 2 0.0213 0.8017 0.8048
Toxoplasma gondii P-type ATPase4, putative 0.01 0.2493 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0213 0.8017 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.6214 0.6131
Trypanosoma cruzi P-type H+-ATPase, putative 0.0057 0.0381 0.0402
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.01 0.2493 0.2057
Echinococcus multilocularis excitatory amino acid transporter 2 0.0213 0.8017 0.8048
Onchocerca volvulus 0.0249 0.9786 1
Echinococcus granulosus Excitatory amino acid transporter 0.0213 0.8017 0.8048
Trichomonas vaginalis cation-transporting ATPase, putative 0.0096 0.2279 0.8985
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0243 0.9482 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0213 0.8017 0.8048
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0096 0.2279 0.914
Echinococcus granulosus excitatory amino acid transporter 2 0.0213 0.8017 0.8048
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0096 0.2279 0.8985
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0055 0.0302 0.0089
Chlamydia trachomatis glutamate symporter 0.0213 0.8017 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0096 0.2279 1
Treponema pallidum glutamate transporter 0.0094 0.2208 0.5
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.009 0.1975 0.1799
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0219 0.8326 0.829

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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