Detailed information for compound 1813177

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 237.344 | Formula: C10H11N3S2
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)SSc1n[nH]c(n1)C
  • InChi: 1S/C10H11N3S2/c1-7-3-5-9(6-4-7)14-15-10-11-8(2)12-13-10/h3-6H,1-2H3,(H,11,12,13)
  • InChiKey: WEYYZZQXIWRLNU-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
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.5233 0.5591
Brugia malayi hypothetical protein 0.0025 0.1531 0.1466
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0826 0.328
Brugia malayi jmjC domain containing protein 0.0057 0.5233 0.6047
Loa Loa (eye worm) hypothetical protein 0.0015 0.0482 0.0155
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0482 0.0155
Loa Loa (eye worm) hypothetical protein 0.0081 0.7852 0.8587
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2718 0.2718
Brugia malayi jmjC domain containing protein 0.0015 0.0482 0.0168
Loa Loa (eye worm) hypothetical protein 0.0015 0.0482 0.0155
Loa Loa (eye worm) TAR-binding protein 0.0062 0.5733 0.6162
Schistosoma mansoni ap endonuclease 0.0018 0.0826 0.0826
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2718 0.291
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0826 0.328
Entamoeba histolytica hypothetical protein 0.0035 0.2718 0.2692
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0347 0.0347
Brugia malayi jmjC domain containing protein 0.0057 0.5233 0.6047
Loa Loa (eye worm) hypothetical protein 0.0015 0.0492 0.0167
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0826 0.5
Echinococcus granulosus phd:f box containing protein 0.0015 0.0482 0.0516
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0826 0.328
Brugia malayi RNA binding protein 0.0062 0.5733 0.6665
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5733 0.5733
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0826 0.328
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1531 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.5733 0.6162
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0826 0.328
Loa Loa (eye worm) hypothetical protein 0.0015 0.0482 0.0155
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0826 0.0885
Schistosoma mansoni hypothetical protein 0.0015 0.0492 0.0492
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.5443 0.5443
Brugia malayi hypothetical protein 0.0016 0.0547 0.0248
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1531 1
Echinococcus granulosus protein kinase c iota type 0.0094 0.934 1
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0482 0.0482
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0492 0.0167
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0482 0.0516
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0492 0.0527
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.5443 0.5828
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.2509 0.2675
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.5443 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.5443 1
Schistosoma mansoni hypothetical protein 0.0015 0.0492 0.0492
Brugia malayi TAR-binding protein 0.0062 0.5733 0.6665
Loa Loa (eye worm) hypothetical protein 0.0049 0.4246 0.4461
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.1531 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0492 0.0527
Echinococcus granulosus Protein kinase C brain isozyme 0.0014 0.0347 0.0371
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.5733 0.6665
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5733 0.5733
Schistosoma mansoni jumonji domain containing protein 0.0057 0.5233 0.5233
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0482 0.0516
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5733 0.5733
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0482 0.0482
Loa Loa (eye worm) hypothetical protein 0.0025 0.1531 0.1355
Echinococcus multilocularis protein kinase c epsilon type 0.0014 0.0347 0.0371
Echinococcus multilocularis protein kinase c iota type 0.0094 0.934 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0492 0.018
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0482 0.0516
Echinococcus multilocularis GPCR, family 2 0.0015 0.0492 0.0527
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0492 0.018
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0092 0.9088 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.2509 0.2473
Echinococcus granulosus protein kinase c epsilon type 0.0014 0.0347 0.0371
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.0482 0.0516
Entamoeba histolytica hypothetical protein 0.0035 0.2718 0.2692
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5733 0.5733
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0482 0.0155
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.5443 1
Schistosoma mansoni hypothetical protein 0.0015 0.0492 0.0492
Brugia malayi jmjC domain containing protein 0.0015 0.0482 0.0168
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0826 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.1531 0.2114
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0492 0.0527
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0826 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.2718 0.2718
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.4246 0.4826
Brugia malayi hypothetical protein 0.0035 0.2718 0.2934
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0482 0.0155
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.1531 1
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0482 0.0516
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.5443 0.5443
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.1531 0.2114
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1531 1
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0347 0.0347
Brugia malayi jmjC domain containing protein 0.0015 0.0482 0.0168
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.5233 0.5603
Echinococcus multilocularis tar DNA binding protein 0.0062 0.5733 0.6138
Toxoplasma gondii exonuclease III APE 0.0018 0.0826 0.0693
Entamoeba histolytica hypothetical protein 0.0035 0.2718 0.2692
Entamoeba histolytica hypothetical protein 0.0035 0.2718 0.2692
Echinococcus granulosus tar DNA binding protein 0.0062 0.5733 0.6138
Brugia malayi protein kinase C3,putative 0.0086 0.8427 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0826 0.0693
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0826 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0826 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.5233 0.5233
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.5443 0.5828
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0347 0.0347
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.5233 0.5603
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0826 0.0549
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2718 0.291
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0014 0.0347 0.0371
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.7852 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0482 0.0516
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.5233 0.5603
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.5443 1
Echinococcus granulosus GPCR family 2 0.0015 0.0492 0.0527
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0826 0.0594
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.5443 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1531 1
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0482 0.0482
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.5443 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0826 0.0885
Schistosoma mansoni hypothetical protein 0.0033 0.2509 0.2509
Schistosoma mansoni ap endonuclease 0.0018 0.0826 0.0826
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5733 0.5733
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0482 0.0516
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.5733 0.6162
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0482 0.0482
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.5233 0.5603
Schistosoma mansoni hypothetical protein 0.0015 0.0492 0.0492
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0492 0.0527
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0482 0.0516
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.4246 0.4826
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.0482 0.0516
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0482 0.0482
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.5233 0.5233
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.4246 0.4461
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.7852 1
Brugia malayi jmjC domain containing protein 0.0015 0.0482 0.0168

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase at 1 mg/L colorimetric assay ChEMBL. 22905906
Inhibition (binding) = 47 % Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase at 3 mg/L colorimetric assay ChEMBL. 22905906
Inhibition (binding) = 84 % Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase at 10 mg/L colorimetric assay ChEMBL. 22905906
Inhibition (binding) = 97 % Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase at 100 mg/L colorimetric assay ChEMBL. 22905906

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

1 literature reference was collected for this gene.

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