Detailed information for compound 719411

Basic information

Technical information
  • TDR Targets ID: 719411
  • Name: 1-(4-chlorophenyl)-3-[(5-methyl-1,3,4-thiadia zol-2-yl)sulfanyl]pyrrolidine-2,5-dione
  • MW: 339.82 | Formula: C13H10ClN3O2S2
  • H donors: 0 H acceptors: 4 LogP: 2.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1C(=O)CC(C1=O)Sc1nnc(s1)C
  • InChi: 1S/C13H10ClN3O2S2/c1-7-15-16-13(20-7)21-10-6-11(18)17(12(10)19)9-4-2-8(14)3-5-9/h2-5,10H,6H2,1H3
  • InChiKey: OOCWTCGNHXPQCP-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]pyrrolidine-2,5-dione
  • 1-(4-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]pyrrolidine-2,5-quinone
  • STK167002

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 Bromodomain containing protein 0.0076 0.0719 0.3331
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0119 0.1298 0.3541
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0178 0.2093 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0762 1 0.5
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.1181 0.5137
Schistosoma mansoni bromodomain containing protein 0.0064 0.0558 0.1523
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1181 0.5437
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1181 0.5437
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0178 0.2093 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0435 0.1164
Plasmodium falciparum phenylalanine--tRNA ligase 0.0086 0.0858 0.3824
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0178 0.2093 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0318 0.0867
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0119 0.1298 0.6022
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0435 0.0722
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0178 0.2093 0.3472
Loa Loa (eye worm) MBCTL1 0.0055 0.0435 0.1164
Brugia malayi phosphofructokinase 0.011 0.1181 0.5572
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.2267 0.3761
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0119 0.1298 0.5761
Loa Loa (eye worm) hypothetical protein 0.0041 0.0249 0.0173
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0067 0.0603 0.2548
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0067 0.0603 0.2548
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0435 0.1955
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0183 0.0304
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0435 0.1188
Echinococcus granulosus 6 phosphofructokinase 0.011 0.1181 0.1959
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0119 0.1298 0.6022
Brugia malayi mbt repeat family protein 0.0048 0.0345 0.1516
Loa Loa (eye worm) hypothetical protein 0.0072 0.066 0.2363
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.1181 0.5437
Loa Loa (eye worm) hypothetical protein 0.0178 0.2093 1
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0178 0.2093 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0318 0.0867
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0183 0.0304
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0345 0.0681
Echinococcus multilocularis neuropeptide receptor A26 0.0469 0.6029 1
Plasmodium falciparum phenylalanine--tRNA ligase 0.0119 0.1298 0.6022
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.2267 0.3761
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.1181 0.5137
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0318 0.0527
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.1181 0.1959
Schistosoma mansoni 6-phosphofructokinase 0.011 0.1181 0.3222
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0318 0.0867
Brugia malayi mbt repeat family protein 0.0048 0.0345 0.1516
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1181 0.5437
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0509 0.0845
Onchocerca volvulus 0.0048 0.0345 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0345 0.0572
Echinococcus granulosus neuropeptide s receptor 0.0469 0.6029 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0178 0.2093 0.5711
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0345 0.5
Brugia malayi 6-phosphofructokinase 0.011 0.1181 0.5572
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0345 0.0941
Loa Loa (eye worm) phosphofructokinase 0.011 0.1181 0.5137
Echinococcus multilocularis neuropeptide s receptor 0.0469 0.6029 1
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1181 0.5437
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0067 0.0603 0.2548
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0435 0.0722
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0345 0.0572
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0178 0.2093 1
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0178 0.2093 0.3472
Loa Loa (eye worm) hypothetical protein 0.0043 0.0276 0.0312
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0178 0.2093 1
Brugia malayi Bromodomain containing protein 0.0039 0.0216 0.089
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0178 0.2093 1
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0178 0.2093 1
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0762 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0509 0.0845
Schistosoma mansoni hypothetical protein 0.0294 0.3665 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0318 0.1385
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0119 0.1298 0.2153
Loa Loa (eye worm) hypothetical protein 0.0048 0.0345 0.0681
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0178 0.2093 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1181 0.5437
Schistosoma mansoni 6-phosphofructokinase 0.011 0.1181 0.3222
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0178 0.2093 1
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0119 0.1298 0.2153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0318 0.0538
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0345 0.0941
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0762 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0345 0.0941
Brugia malayi 6-phosphofructokinase 0.011 0.1181 0.5572
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0435 0.0722
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0119 0.1298 0.614
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1181 0.5437
Echinococcus granulosus neuropeptide receptor A26 0.0469 0.6029 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0318 0.0527
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0345 0.0572
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0435 0.0722
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.011 0.1181 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0318 0.0527
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0067 0.0603 0.1646
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0345 0.0572
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0178 0.2093 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0318 0.0527
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1181 0.5437

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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