Detailed information for compound 1804199

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.386 | Formula: C11H17NO5S2
  • H donors: 0 H acceptors: 5 LogP: 1.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(S(=O)(=O)c1cccc(n1)OS(=O)(=O)C)C
  • InChi: 1S/C11H17NO5S2/c1-4-6-9(2)19(15,16)11-8-5-7-10(12-11)17-18(3,13)14/h5,7-9H,4,6H2,1-3H3
  • InChiKey: POVAEYAOZFRQCP-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) hypothetical protein 0.0057 0.0301 0.04
Giardia lamblia Kinase, CMGC CLK 0.0144 0.1565 0.1746
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Brugia malayi Carboxylesterase family protein 0.0133 0.1407 0.204
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.1565 0.2275
Echinococcus multilocularis tumor protein p63 0.0724 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.0217 0.5
Echinococcus granulosus acetylcholinesterase 0.0133 0.1407 0.0727
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0217 0.4154
Echinococcus granulosus dual specificity 0.0391 0.5156 0.4773
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0144 0.1565 0.1746
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0144 0.1565 0.0584
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.1407 0.204
Echinococcus granulosus acetylcholinesterase 0.0133 0.1407 0.0727
Echinococcus granulosus carboxylesterase 5A 0.0133 0.1407 0.0727
Loa Loa (eye worm) carboxylesterase 0.0133 0.1407 0.2031
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1407 0.0727
Loa Loa (eye worm) hypothetical protein 0.0133 0.1407 0.2031
Brugia malayi Endochitinase 0.0091 0.0794 0.1124
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0301 0.0389
Loa Loa (eye worm) hypothetical protein 0.0051 0.0217 0.0275
Loa Loa (eye worm) haspin protein kinase 0.05 0.674 0.9894
Onchocerca volvulus Putative endochitinase 0.0081 0.0652 0.3871
Loa Loa (eye worm) microfilarial chitinase 0.0079 0.0621 0.0871
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0391 0.5156 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0091 0.0805 0.1191
Onchocerca volvulus Putative endochitinase 0.0091 0.0794 0.5129
Leishmania major chitinase 0.0081 0.0652 0.0882
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0217 0.0263
Brugia malayi endochitinase 0.0091 0.0794 0.1124
Echinococcus multilocularis carboxylesterase 5A 0.0133 0.1407 0.0727
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0128 0.1342 0.1942
Schistosoma mansoni hypothetical protein 0.0128 0.1342 0.1942
Loa Loa (eye worm) hypothetical protein 0.0097 0.0888 0.1265
Echinococcus granulosus dual specificity protein kinase clk2 0.0144 0.1565 0.0897
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.096 0.1372
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.0805 0.1141
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0391 0.5156 0.7558
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0091 0.0805 0.505
Leishmania major protein kinase, putative 0.0144 0.1565 0.2729
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0144 0.1565 0.2263
Entamoeba histolytica protein kinase, putative 0.0102 0.096 0.1505
Echinococcus granulosus serine:threonine protein kinase haspin 0.05 0.674 0.6482
Echinococcus granulosus dual specificity 0.0102 0.096 0.0245
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0391 0.5156 1
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0217 0.0263
Loa Loa (eye worm) hypothetical protein 0.0133 0.1407 0.2031
Brugia malayi Carboxylesterase family protein 0.0133 0.1407 0.204
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0091 0.0805 0.0078
Brugia malayi Protein kinase domain containing protein 0.0102 0.096 0.1372
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0144 0.1565 0.1746
Leishmania major protein kinase, putative 0.0144 0.1565 0.2729
Echinococcus granulosus serine:threonine protein kinase haspin 0.05 0.674 0.6482
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0391 0.5156 0.7635
Plasmodium falciparum MO15-related protein kinase 0.0091 0.0805 0.505
Brugia malayi GSG2 0.05 0.674 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0091 0.0805 0.1143
Entamoeba histolytica chitinase, putative 0.0081 0.0652 0.0882
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0051 0.0217 0.4154
Schistosoma mansoni protein kinase 0.0091 0.0805 0.1141
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1407 0.0727
Loa Loa (eye worm) haspin protein kinase 0.05 0.674 0.9894
Loa Loa (eye worm) haspin protein kinase 0.0505 0.6812 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.05 0.674 0.6482
Entamoeba histolytica hypothetical protein 0.0086 0.0733 0.1046
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0091 0.0805 0.1191
Entamoeba histolytica hypothetical protein 0.0102 0.096 0.1505
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0041 0.0016
Brugia malayi Protein kinase domain containing protein 0.0144 0.1565 0.2275
Schistosoma mansoni serine/threonine protein kinase 0.0391 0.5156 0.7635
Echinococcus multilocularis serine:threonine protein kinase haspin 0.05 0.674 0.6482
Echinococcus granulosus dual specificity 0.0391 0.5156 0.4773
Mycobacterium ulcerans chitinase/cellulase 0.0069 0.0479 1
Loa Loa (eye worm) cuticular endochitinase 0.0081 0.0652 0.0917
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0144 0.1565 0.1746
Onchocerca volvulus 0.0128 0.1342 1
Trichomonas vaginalis CMGC family protein kinase 0.0391 0.5156 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.0217 0.5
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0102 0.096 0.0356
Plasmodium vivax hypothetical protein, conserved 0.0128 0.1342 0.8548
Entamoeba histolytica protein kinase domain containing protein 0.0391 0.5156 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0217 0.4154
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0102 0.096 0.0356
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.1565 0.1746
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.1565 0.2275
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0091 0.0805 0.0078
Mycobacterium ulcerans hypothetical protein 0.0051 0.0217 0.4154
Brugia malayi Cell division protein kinase 2 0.0091 0.0805 0.1141
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0051 0.0217 0.4154
Leishmania major serine/threonine kinase-like protein, putative 0.0091 0.0805 0.1191
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0051 0.0217 0.4154
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0091 0.0805 0.1143
Loa Loa (eye worm) chitinase I 0.0081 0.0652 0.0917
Echinococcus multilocularis serine:threonine protein kinase haspin 0.05 0.674 0.6482
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0091 0.0805 0.505
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0102 0.096 0.1371
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0144 0.1565 0.1746
Echinococcus multilocularis dual specificity 0.0391 0.5156 0.4773
Onchocerca volvulus Putative endochitinase 0.0081 0.0652 0.3871
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0102 0.096 0.1505
Echinococcus granulosus serine:threonine protein kinase NLK 0.0091 0.0805 0.0078
Loa Loa (eye worm) acetylcholinesterase 1 0.0133 0.1407 0.2031
Brugia malayi hypothetical protein 0.05 0.674 1
Entamoeba histolytica protein kinase, putative 0.0102 0.096 0.1505
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0102 0.096 0.0356
Schistosoma mansoni cellular tumor antigen P53 0.0106 0.1019 0.1459
Schistosoma mansoni hypothetical protein 0.0086 0.0733 0.1034
Echinococcus multilocularis cyclin dependent kinase 9 0.0091 0.0805 0.0078
Entamoeba histolytica protein kinase, putative 0.0391 0.5156 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0888 0.1265
Echinococcus multilocularis dual specificity 0.0391 0.5156 0.4773
Giardia lamblia Kinase, CMGC DYRK 0.0391 0.5156 1
Echinococcus granulosus mitogen activated protein kinase 15 0.0091 0.0805 0.0078
Echinococcus granulosus hypothetical protein 0.0139 0.1493 0.082
Loa Loa (eye worm) hypothetical protein 0.0051 0.0217 0.0275
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0128 0.1342 0.0657
Loa Loa (eye worm) hypothetical protein 0.0051 0.0217 0.0275
Echinococcus granulosus cyclin dependent kinase 9 0.0091 0.0805 0.0078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0301 0.0389
Entamoeba histolytica protein kinase domain containing protein 0.0091 0.0805 0.1191
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0128 0.1342 0.0657
Brugia malayi endochitinase 0.0081 0.0652 0.0913
Mycobacterium ulcerans chitinase/cellulase 0.0069 0.0479 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.1342 0.1934
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0144 0.1565 0.1746
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0051 0.0217 0.4521
Echinococcus multilocularis dual specificity 0.0102 0.096 0.0245
Echinococcus granulosus dual specificity 0.0391 0.5156 0.4773
Brugia malayi cyclin-dependent kinase 7 homolog 0.0091 0.0805 0.1141
Echinococcus multilocularis dual specificity 0.0391 0.5156 0.4773
Mycobacterium tuberculosis Possible chitinase 0.0069 0.0479 1
Schistosoma mansoni serine/threonine kinase 0.0091 0.0805 0.1141
Echinococcus multilocularis dual specificity protein kinase clk2 0.0144 0.1565 0.0897
Onchocerca volvulus 0.0128 0.1342 1
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0217 0.0263
Loa Loa (eye worm) hypothetical protein 0.0139 0.1493 0.2157
Plasmodium falciparum protein serine/threonine kinase-1 0.0144 0.1565 1
Plasmodium falciparum conserved protein, unknown function 0.0128 0.1342 0.8548
Echinococcus multilocularis 0.0139 0.1493 0.082
Brugia malayi Protein kinase domain containing protein 0.0091 0.0805 0.1141
Loa Loa (eye worm) hypothetical protein 0.0069 0.0479 0.0662
Onchocerca volvulus 0.0106 0.1019 0.7125
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0391 0.5156 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0217 0.4154
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0217 0.4521
Plasmodium vivax serine/threonine kinase-1, putative 0.0144 0.1565 1
Schistosoma mansoni hypothetical protein 0.05 0.674 1
Onchocerca volvulus Putative endochitinase 0.0091 0.0794 0.5129
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0091 0.0805 0.0078
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0391 0.5156 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0051 0.0217 0.4154
Entamoeba histolytica protein kinase domain containing protein 0.0102 0.096 0.1505
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.003 0.0628
Loa Loa (eye worm) hypothetical protein 0.0106 0.1019 0.1457
Onchocerca volvulus Putative endochitinase 0.0091 0.0794 0.5129
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
Loa Loa (eye worm) hypothetical protein 0.0128 0.1342 0.1934

Activities

Activity type Activity value Assay description Source Reference
log(1/I50) (binding) = 9.3 Inhibition of susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase activity ChEMBL. No reference
log(1/I50) (binding) = 9.7 Inhibition of susceptible Nephotettix cincticeps Izumi (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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