Detailed information for compound 693088

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.444 | Formula: C15H17N3O3S2
  • H donors: 1 H acceptors: 4 LogP: 1.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c(C1)sc(n2)NC(=O)c1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C15H17N3O3S2/c1-18-8-7-12-13(9-18)22-15(16-12)17-14(19)10-3-5-11(6-4-10)23(2,20)21/h3-6H,7-9H2,1-2H3,(H,16,17,19)
  • InChiKey: YJVIEQJSMVVUIX-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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.037 0.037
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0126 0.0126
Echinococcus multilocularis dnaJ subfamily B 0.0467 1 1
Brugia malayi Choline/ethanolamine kinase family protein 0.0008 0.0083 0.0144
Schistosoma mansoni choline/ethanolamine kinase 0.0008 0.0083 0.0083
Onchocerca volvulus 0.0033 0.0615 0.2099
Loa Loa (eye worm) histone methyltransferase 0.001 0.0126 0.0219
Echinococcus multilocularis survival motor neuron protein 1 0.027 0.5742 0.5742
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0397 0.0397
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0397 0.0397
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.1405 0.8124
Onchocerca volvulus Huntingtin homolog 0.014 0.293 1
Echinococcus granulosus acetylcholinesterase 0.0134 0.2812 0.2812
Onchocerca volvulus 0.0008 0.0083 0.0283
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0397 0.0397
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0067 0.1683
Loa Loa (eye worm) carboxylesterase 0.0023 0.0397 0.0692
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0008 0.0083 0.2086
Loa Loa (eye worm) choline Kinase A 0.0008 0.0083 0.0144
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.0692
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.037 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 0.2812 0.4898
Schistosoma mansoni choline kinase 0.0008 0.0083 0.0083
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0397 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0008 0.0008
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0008 0.0083 0.2238
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.1405 0.1405
Echinococcus multilocularis acetylcholinesterase 0.0134 0.2812 0.2812
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.037 0.0645
Echinococcus multilocularis choline:ethanolamine kinase 0.0084 0.1729 0.1729
Echinococcus granulosus choline:ethanolamine kinase 0.0084 0.1729 0.1729
Toxoplasma gondii exonuclease III APE 0.0021 0.037 0.2142
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0397 0.0397
Schistosoma mansoni hypothetical protein 0.0467 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.0692
Schistosoma mansoni acetylcholinesterase 0.0023 0.0397 0.0397
Echinococcus granulosus ethanolamine kinase 2 0.0008 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0134 0.2812 0.4898
Trypanosoma cruzi choline kinase 0.0008 0.0083 0.2238
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 0.2812 0.2812
Schistosoma mansoni ap endonuclease 0.0021 0.037 0.037
Loa Loa (eye worm) choline/ethanolamine kinase 0.0008 0.0083 0.0144
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.037 0.9322
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0067 0.1683
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0082 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Echinococcus multilocularis carboxylesterase 5A 0.0134 0.2812 0.2812
Onchocerca volvulus 0.0023 0.0397 0.1356
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0397 0.0397
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.037 1
Onchocerca volvulus 0.0023 0.0397 0.1356
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0397 0.2829
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.037 0.2142
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.0692
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.037 1
Loa Loa (eye worm) carboxylesterase 0.0023 0.0397 0.0692
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1405 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Brugia malayi Choline/ethanolamine kinase family protein 0.0008 0.0083 0.0144
Onchocerca volvulus 0.0055 0.1097 0.3743
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0397 0.0397
Onchocerca volvulus Huntingtin homolog 0.014 0.293 1
Brugia malayi Carboxylesterase family protein 0.0134 0.2812 0.4898
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0397 0.0397
Echinococcus granulosus survival motor neuron protein 1 0.027 0.5742 0.5742
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.037 0.9322
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0615 0.1071
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0397 0.0397
Echinococcus granulosus acetylcholinesterase 0.0134 0.2812 0.2812
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0123 0.0214
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.1097 0.191
Trypanosoma brucei choline kinase 0.0008 0.0083 0.2238
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Onchocerca volvulus 0.0023 0.0397 0.1356
Echinococcus multilocularis ethanolamine kinase 2 0.0008 0.0083 0.0083
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0397 0.0397
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1405 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.037 0.0645
Trichomonas vaginalis helicase, putative 0.0007 0.0067 0.1683
Toxoplasma gondii phosphotransferase enzyme family protein 0.0084 0.1729 1
Brugia malayi hypothetical protein 0.027 0.5742 1
Leishmania major choline/ethanolamine kinase, putative 0.0008 0.0083 0.059
Schistosoma mansoni gliotactin 0.0023 0.0397 0.0397
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0067 0.1683
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.1249 0.7224
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.037 0.2637
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0397 0.0397
Giardia lamblia Ethanolamine kinase, putative 0.0008 0.0083 0.2238
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.037 1
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0008 0.0083 0.2238
Schistosoma mansoni survival motor neuron protein 0.0055 0.1097 0.1097
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0067 0.1683
Toxoplasma gondii phosphotransferase enzyme family protein 0.0008 0.0083 0.0479
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1405 0.1405
Brugia malayi Carboxylesterase family protein 0.0023 0.0397 0.0692
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0134 0.2812 0.4898
Onchocerca volvulus 0.0023 0.0397 0.1356
Brugia malayi CXXC zinc finger family protein 0.0033 0.0615 0.1071
Brugia malayi Carboxylesterase family protein 0.0023 0.0397 0.0692
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0082 0.0082
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0082 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1405 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0126 0.0126
Echinococcus multilocularis acetylcholinesterase 0.0134 0.2812 0.2812
Loa Loa (eye worm) choline/ethanolamine kinase 0.0084 0.1729 0.3011
Toxoplasma gondii phosphotransferase enzyme family protein 0.0008 0.0083 0.0479
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0067 0.1683
Echinococcus multilocularis neuroligin 0.0023 0.0397 0.0397
Brugia malayi Choline/ethanolamine kinase family protein 0.0084 0.1729 0.3011
Trypanosoma brucei choline/ethanolamine kinase 0.0008 0.0083 0.2238
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.1405 1
Brugia malayi hypothetical protein 0.014 0.293 0.5102
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0397 0.026
Schistosoma mansoni cpg binding protein 0.0035 0.0655 0.0655
Plasmodium falciparum choline kinase 0.0084 0.1729 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.037 0.2142
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.0692
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Onchocerca volvulus 0.0023 0.0397 0.1356
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0397 0.2829
Loa Loa (eye worm) hypothetical protein 0.027 0.5742 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0067 0.1683
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0067 0.1683
Loa Loa (eye worm) hypothetical protein 0.014 0.293 0.5102
Brugia malayi Carboxylesterase family protein 0.0023 0.0397 0.0692
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.1405 0.1405
Schistosoma mansoni choline/ethanolamine kinase 0.0008 0.0083 0.0083
Loa Loa (eye worm) carboxylesterase 0.0134 0.2812 0.4898
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.141 0.141
Brugia malayi Carboxylesterase family protein 0.0023 0.0397 0.0692
Loa Loa (eye worm) hypothetical protein 0.0008 0.0083 0.0144
Loa Loa (eye worm) hypothetical protein 0.014 0.293 0.5102
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1405 0.1405
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0067 0.1683
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.037 1
Leishmania major choline kinase 0.0008 0.0083 0.059
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.0692
Echinococcus granulosus neuroligin 0.0023 0.0397 0.0397
Plasmodium falciparum ethanolamine kinase 0.0008 0.0083 0.0479
Echinococcus multilocularis cpg binding protein 0.0035 0.0655 0.0655
Schistosoma mansoni hypothetical protein 0.0055 0.1097 0.1097
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.0692
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0008 0.0083 0.0283
Echinococcus granulosus cpg binding protein 0.0035 0.0655 0.0655
Brugia malayi hypothetical protein 0.0023 0.0397 0.0692
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.1405 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0082 0.0082
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0397 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0067 0.1683
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0397 0.2829
Schistosoma mansoni ap endonuclease 0.0021 0.037 0.037
Plasmodium vivax ethanolamine kinase, putative 0.0008 0.0083 0.0479
Plasmodium vivax choline kinase, putative 0.0084 0.1729 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0397 0.0397
Echinococcus granulosus carboxylesterase 5A 0.0134 0.2812 0.2812
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.037 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.0692
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.037 0.2637
Schistosoma mansoni cpg binding protein 0.0033 0.0615 0.0615
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0082 0.0082
Schistosoma mansoni cpg binding protein 0.0035 0.0655 0.0655
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.037 1
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0008 0.0083 0.2238
Brugia malayi Carboxylesterase family protein 0.0134 0.2812 0.4898

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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