Detailed information for compound 587002

Basic information

Technical information
  • TDR Targets ID: 587002
  • Name: 2-acetamido-3-(allylcarbamothioylsulfanyl)pro panoic acid
  • MW: 262.349 | Formula: C9H14N2O3S2
  • H donors: 3 H acceptors: 3 LogP: 0.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC(C(=O)O)CSC(=S)NCC=C
  • InChi: 1S/C9H14N2O3S2/c1-3-4-10-9(15)16-5-7(8(13)14)11-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,15)(H,11,12)(H,13,14)
  • InChiKey: DJFUZUUKZXAXBZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-acetamido-3-[[(allylamino)-thioxomethyl]thio]propanoic acid
  • 2-acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid
  • 2-acetamido-3-(allylthiocarbamoylthio)propionic acid
  • N-acetyl-S-(N-allylthiocarbamoyl)cysteine
  • 87321-45-7
  • Ac-Atc-cys
  • L-Cysteine, N-acetyl-, 2-propenylcarbamodithioate (ester)
  • N-Acetyl-L-cysteine 2-propenylcarbamodithioate (ester)
  • N-Acetyl-S-(N-allylthiocarbamoyl)-L-cysteine

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
Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, putative 0.0066 0.0896 1
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.3389 0.3361
Loa Loa (eye worm) hypothetical protein 0.0013 0.0131 0.0193
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.022 0.449
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0449 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0009 0.0078 0.0078
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0084 0.0051
Mycobacterium ulcerans 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase 0.0216 0.3041 0.5
Onchocerca volvulus 0.0028 0.0345 0.1889
Echinococcus multilocularis bloom syndrome protein 0.0019 0.022 0.0179
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0449 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0449 0.1155
Echinococcus multilocularis microtubule associated protein 2 0.07 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0705 0.7661
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0645 0.1745
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0033 0.0000000027566
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0131 0.2347
Chlamydia trachomatis 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase 0.0216 0.3041 0.5
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.022 0.2801
Brugia malayi hypothetical protein 0.024 0.3389 1
Mycobacterium tuberculosis 4-diphosphocytidyl-2C-methyl-D-erythritol synthase IspD (MEP cytidylyltransferase) (MCT) 0.0149 0.2087 0.5
Mycobacterium leprae Probable 4-diphosphocytidyl-2C-methyl-D-erythritol synthase IspD (2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase) (MEP 0.0216 0.3041 0.5
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.5676 0.5658
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0131 0.2347
Schistosoma mansoni alpha glucosidase 0.0035 0.0449 0.0449
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0033 0.0000000027566
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0131 0.2347
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0084 0.0066
Entamoeba histolytica recQ family helicase, putative 0.0019 0.022 0.3821
Loa Loa (eye worm) hypothetical protein 0.001 0.0084 0.0051
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0449 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0131 0.2347
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0067 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0449 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0796 0.0796
Schistosoma mansoni alpha-glucosidase 0.0137 0.1908 0.1908
Schistosoma mansoni cpg binding protein 0.0028 0.0345 0.0345
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.022 0.0179
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.022 0.0466
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.022 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.022 0.449
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0131 0.2347
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.2226 0.2193
Treponema pallidum hypothetical protein 0.0066 0.0896 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0645 0.0645
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0449 0.4532
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0033 0.0000000027566
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.022 0.0179
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0131 0.2347
Brugia malayi CXXC zinc finger family protein 0.0028 0.0345 0.0841
Trypanosoma brucei glucosidase, putative 0.0035 0.0449 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0449 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.2226 0.2193
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0033 0.0000000027566
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.022 0.449
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0131 0.2347
Echinococcus granulosus survival motor neuron protein 1 0.024 0.3389 0.3361
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0449 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0449 1
Plasmodium vivax 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, putative 0.0066 0.0896 1
Echinococcus granulosus cpg binding protein 0.003 0.0368 0.0327
Schistosoma mansoni microtubule-associated protein tau 0.07 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0033 0.0000000027566
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0033 0.0000000027566
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.022 0.0179
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0131 0.1291
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0449 0.0409
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0084 0.0066
Schistosoma mansoni hypothetical protein 0.0399 0.5676 0.5676
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0131 0.2347
Schistosoma mansoni hypothetical protein 0.0049 0.0645 0.0645
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.022 0.2801
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.024 0.3389 1
Schistosoma mansoni alpha-glucosidase 0.0137 0.1908 0.1908
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.022 0.0466
Entamoeba histolytica recQ family DNA helicase 0.001 0.0084 0.0145
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.022 0.1732
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0449 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0131 0.1291
Schistosoma mansoni cpg binding protein 0.003 0.0368 0.0368
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0449 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.022 0.373
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.2226 0.2193
Onchocerca volvulus 0.0092 0.1263 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.2226 0.65
Loa Loa (eye worm) hypothetical protein 0.0019 0.022 0.0461
Echinococcus granulosus dnaJ subfamily B 0.0399 0.5676 0.5658
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.022 0.0466
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0449 1
Schistosoma mansoni DNA helicase recq5 0.0019 0.022 0.022
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0067 0.0025
Wolbachia endosymbiont of Brugia malayi 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase 0.0066 0.0896 0.5
Toxoplasma gondii hypothetical protein 0.0066 0.0896 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0033 0.0000000027566
Loa Loa (eye worm) RecQ helicase 0.0019 0.022 0.0461
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0449 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.022 0.0461
Echinococcus granulosus bloom syndrome protein 0.0019 0.022 0.0179
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0345 0.0837
Echinococcus multilocularis cpg binding protein 0.003 0.0368 0.0327
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0033 0.0000000027566
Schistosoma mansoni cpg binding protein 0.003 0.0368 0.0368
Schistosoma mansoni DNA helicase recq1 0.0019 0.022 0.022
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0131 0.1418
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.2226 0.6502
Onchocerca volvulus 0.0049 0.0645 0.4542
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0131 0.0198
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.022 0.0179
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0042 0.0042
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0084 0.0084
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0449 0.0409
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0449 0.1151
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.022 0.1732
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0449 1

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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