Detailed information for compound 1804170

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.36 | Formula: C10H15NO5S2
  • H donors: 0 H acceptors: 5 LogP: 1.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCS(=O)(=O)c1cccc(n1)OS(=O)(=O)C
  • InChi: 1S/C10H15NO5S2/c1-3-4-8-18(14,15)10-7-5-6-9(11-10)16-17(2,12)13/h5-7H,3-4,8H2,1-2H3
  • InChiKey: NCPFODBTCLSUNT-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 Calcitonin receptor-like protein seb-1 0.0057 0.0301 0.0389
Loa Loa (eye worm) cuticular endochitinase 0.0081 0.0652 0.0917
Echinococcus granulosus serine:threonine protein kinase haspin 0.05 0.674 0.6482
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.096 0.1372
Echinococcus multilocularis dual specificity 0.0391 0.5156 0.4773
Brugia malayi Endochitinase 0.0091 0.0794 0.1124
Loa Loa (eye worm) haspin protein kinase 0.05 0.674 0.9894
Plasmodium falciparum MO15-related protein kinase 0.0091 0.0805 0.505
Echinococcus granulosus acetylcholinesterase 0.0133 0.1407 0.0727
Plasmodium falciparum conserved protein, unknown function 0.0128 0.1342 0.8548
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0217 0.4154
Loa Loa (eye worm) hypothetical protein 0.0051 0.0217 0.0275
Schistosoma mansoni cellular tumor antigen P53 0.0106 0.1019 0.1459
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Echinococcus multilocularis cyclin dependent kinase 9 0.0091 0.0805 0.0078
Loa Loa (eye worm) hypothetical protein 0.0106 0.1019 0.1457
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0217 0.4154
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0217 0.0263
Loa Loa (eye worm) hypothetical protein 0.0051 0.0217 0.0275
Onchocerca volvulus 0.0128 0.1342 1
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0391 0.5156 1
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0091 0.0805 0.1143
Entamoeba histolytica cell division protein kinase 2, putative 0.0091 0.0805 0.1191
Entamoeba histolytica protein kinase, putative 0.0102 0.096 0.1505
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1407 0.0727
Brugia malayi Protein kinase domain containing protein 0.0091 0.0805 0.1141
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0144 0.1565 0.1746
Mycobacterium tuberculosis Possible chitinase 0.0069 0.0479 1
Echinococcus granulosus hypothetical protein 0.0139 0.1493 0.082
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.003 0.0628
Giardia lamblia Kinase, CMGC CLK 0.0144 0.1565 0.1746
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0391 0.5156 1
Brugia malayi hypothetical protein 0.05 0.674 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0144 0.1565 0.0584
Entamoeba histolytica protein kinase domain containing protein 0.0091 0.0805 0.1191
Echinococcus granulosus dual specificity protein kinase clk2 0.0144 0.1565 0.0897
Brugia malayi Cell division protein kinase 2 0.0091 0.0805 0.1141
Brugia malayi Protein kinase domain containing protein 0.0102 0.096 0.1372
Loa Loa (eye worm) hypothetical protein 0.0133 0.1407 0.2031
Echinococcus granulosus serine:threonine protein kinase haspin 0.05 0.674 0.6482
Loa Loa (eye worm) haspin protein kinase 0.0505 0.6812 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0888 0.1265
Loa Loa (eye worm) carboxylesterase 0.0133 0.1407 0.2031
Schistosoma mansoni serine/threonine kinase 0.0091 0.0805 0.1141
Schistosoma mansoni protein kinase 0.0091 0.0805 0.1141
Leishmania major serine/threonine kinase-like protein, putative 0.0091 0.0805 0.1191
Echinococcus granulosus mitogen activated protein kinase 15 0.0091 0.0805 0.0078
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0102 0.096 0.0356
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0144 0.1565 0.1746
Loa Loa (eye worm) hypothetical protein 0.0057 0.0301 0.04
Echinococcus granulosus dual specificity 0.0391 0.5156 0.4773
Onchocerca volvulus Putative endochitinase 0.0081 0.0652 0.3871
Echinococcus multilocularis carboxylesterase 5A 0.0133 0.1407 0.0727
Echinococcus multilocularis dual specificity 0.0102 0.096 0.0245
Echinococcus granulosus serine:threonine protein kinase NLK 0.0091 0.0805 0.0078
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0091 0.0805 0.505
Mycobacterium ulcerans chitinase/cellulase 0.0069 0.0479 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0128 0.1342 0.0657
Loa Loa (eye worm) chitinase I 0.0081 0.0652 0.0917
Loa Loa (eye worm) hypothetical protein 0.0069 0.0479 0.0662
Brugia malayi cyclin-dependent kinase 7 homolog 0.0091 0.0805 0.1141
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.1342 0.1934
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0102 0.096 0.1505
Onchocerca volvulus 0.0106 0.1019 0.7125
Loa Loa (eye worm) hypothetical protein 0.0128 0.1342 0.1934
Echinococcus granulosus cyclin dependent kinase 9 0.0091 0.0805 0.0078
Leishmania major protein kinase, putative 0.0144 0.1565 0.2729
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0091 0.0805 0.505
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0217 0.0263
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.1407 0.204
Onchocerca volvulus Putative endochitinase 0.0091 0.0794 0.5129
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0051 0.0217 0.4154
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0144 0.1565 0.2263
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0102 0.096 0.1371
Brugia malayi endochitinase 0.0091 0.0794 0.1124
Brugia malayi Carboxylesterase family protein 0.0133 0.1407 0.204
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.0217 0.5
Echinococcus granulosus dual specificity 0.0391 0.5156 0.4773
Entamoeba histolytica hypothetical protein 0.0102 0.096 0.1505
Echinococcus multilocularis serine:threonine protein kinase haspin 0.05 0.674 0.6482
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0051 0.0217 0.4154
Brugia malayi Protein kinase domain containing protein 0.0144 0.1565 0.2275
Loa Loa (eye worm) hypothetical protein 0.0039 0.0041 0.0016
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0051 0.0217 0.4154
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0091 0.0805 0.0078
Echinococcus granulosus dual specificity 0.0391 0.5156 0.4773
Echinococcus multilocularis 0.0139 0.1493 0.082
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0391 0.5156 1
Entamoeba histolytica protein kinase, putative 0.0102 0.096 0.1505
Onchocerca volvulus Putative endochitinase 0.0081 0.0652 0.3871
Plasmodium falciparum protein serine/threonine kinase-1 0.0144 0.1565 1
Leishmania major chitinase 0.0081 0.0652 0.0882
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0051 0.0217 0.4154
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.0805 0.1141
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0144 0.1565 0.1746
Brugia malayi Carboxylesterase family protein 0.0133 0.1407 0.204
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0091 0.0805 0.1143
Echinococcus multilocularis tumor protein p63 0.0724 1 1
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0128 0.1342 0.1942
Echinococcus granulosus serine:threonine protein kinase haspin 0.05 0.674 0.6482
Entamoeba histolytica protein kinase domain containing protein 0.0391 0.5156 1
Echinococcus granulosus dual specificity 0.0102 0.096 0.0245
Onchocerca volvulus 0.0128 0.1342 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0102 0.096 0.0356
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0128 0.1342 0.0657
Loa Loa (eye worm) acetylcholinesterase 1 0.0133 0.1407 0.2031
Echinococcus multilocularis dual specificity 0.0391 0.5156 0.4773
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0091 0.0805 0.0078
Echinococcus multilocularis dual specificity 0.0391 0.5156 0.4773
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.1565 0.2275
Schistosoma mansoni hypothetical protein 0.0086 0.0733 0.1034
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0217 0.4154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0301 0.0389
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0091 0.0805 0.1191
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0391 0.5156 0.7635
Loa Loa (eye worm) microfilarial chitinase 0.0079 0.0621 0.0871
Giardia lamblia Kinase, CMGC DYRK 0.0391 0.5156 1
Schistosoma mansoni hypothetical protein 0.0128 0.1342 0.1942
Mycobacterium ulcerans hypothetical protein 0.0051 0.0217 0.4154
Entamoeba histolytica protein kinase domain containing protein 0.0102 0.096 0.1505
Schistosoma mansoni serine/threonine protein kinase 0.0391 0.5156 0.7635
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0391 0.5156 1
Entamoeba histolytica protein kinase, putative 0.0391 0.5156 1
Mycobacterium ulcerans chitinase/cellulase 0.0069 0.0479 1
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1407 0.0727
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0301 0.04
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0144 0.1565 0.1746
Echinococcus granulosus acetylcholinesterase 0.0133 0.1407 0.0727
Loa Loa (eye worm) hypothetical protein 0.0097 0.0888 0.1265
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.1565 0.2275
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Onchocerca volvulus Putative endochitinase 0.0091 0.0794 0.5129
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0217 0.4521
Onchocerca volvulus Putative endochitinase 0.0091 0.0794 0.5129
Schistosoma mansoni hypothetical protein 0.05 0.674 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0144 0.1565 0.1746
Leishmania major protein kinase, putative 0.0144 0.1565 0.2729
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0102 0.096 0.0356
Echinococcus granulosus carboxylesterase 5A 0.0133 0.1407 0.0727
Echinococcus multilocularis serine:threonine protein kinase haspin 0.05 0.674 0.6482
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.1565 0.1746
Entamoeba histolytica hypothetical protein 0.0086 0.0733 0.1046
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0144 0.1565 0.1746
Plasmodium vivax serine/threonine kinase-1, putative 0.0144 0.1565 1
Brugia malayi endochitinase 0.0081 0.0652 0.0913
Entamoeba histolytica chitinase, putative 0.0081 0.0652 0.0882
Loa Loa (eye worm) hypothetical protein 0.0133 0.1407 0.2031
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0217 0.0263
Loa Loa (eye worm) hypothetical protein 0.0051 0.0217 0.0275
Loa Loa (eye worm) hypothetical protein 0.0139 0.1493 0.2157
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0051 0.0217 0.4521
Brugia malayi GSG2 0.05 0.674 1
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0391 0.5156 0.7558
Plasmodium vivax hypothetical protein, conserved 0.0128 0.1342 0.8548
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.0217 0.5
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0091 0.0805 0.0078
Echinococcus multilocularis dual specificity protein kinase clk2 0.0144 0.1565 0.0897
Loa Loa (eye worm) haspin protein kinase 0.05 0.674 0.9894

Activities

Activity type Activity value Assay description Source Reference
log(1/I50) (binding) = 8.22 Inhibition of susceptible Nephotettix cincticeps Izumi (green rice leafhopper) acetylcholinesterase activity ChEMBL. No reference
log(1/I50) (binding) = 8.8 Inhibition of susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase activity ChEMBL. No reference

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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