Detailed information for compound 841115

Basic information

Technical information
  • TDR Targets ID: 841115
  • Name: 3-naphthalen-2-ylsulfanyl-1-phenylpyrrolidine -2,5-dione
  • MW: 333.404 | Formula: C20H15NO2S
  • H donors: 0 H acceptors: 2 LogP: 4.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C(=O)N1c1ccccc1)Sc1ccc2c(c1)cccc2
  • InChi: 1S/C20H15NO2S/c22-19-13-18(20(23)21(19)16-8-2-1-3-9-16)24-17-11-10-14-6-4-5-7-15(14)12-17/h1-12,18H,13H2
  • InChiKey: LFKHHRYKUTZWBT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-naphthylsulfanyl)-1-phenyl-pyrrolidine-2,5-dione
  • 3-(2-naphthylthio)-1-phenylpyrrolidine-2,5-dione
  • 3-(2-naphthylthio)-1-phenyl-pyrrolidine-2,5-quinone
  • 3-naphthalen-2-ylsulfanyl-1-phenyl-pyrrolidine-2,5-dione
  • A0360/0016642
  • BIM-0016899.P001
  • CBMicro_016782

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
Toxoplasma gondii thioredoxin reductase 0.005 0.2019 1
Brugia malayi Thioredoxin reductase 0.005 0.2019 0.3
Mycobacterium tuberculosis Probable reductase 0.0114 0.5976 0.8837
Brugia malayi hypothetical protein 0.0038 0.128 0.1902
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.2019 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.6729 1
Entamoeba histolytica hypothetical protein 0.0038 0.128 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0017 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0067 0.3068 0.3431
Echinococcus multilocularis geminin 0.018 1 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.3068 0.3068
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.5976 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3068 0.3068
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.5976 0.8837
Schistosoma mansoni hypothetical protein 0.0036 0.1156 0.1156
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.6763 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.2019 0.1548
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3068 0.3068
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.2186 0.1849
Loa Loa (eye worm) RNA binding protein 0.0067 0.3068 0.3431
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1156 0.1718
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.3068 0.3431
Trichomonas vaginalis mercuric reductase, putative 0.0017 0 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.128 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.128 0.128
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.5976 0.8837
Entamoeba histolytica hypothetical protein 0.0038 0.128 0.5
Loa Loa (eye worm) glutathione reductase 0.005 0.2019 0.1548
Echinococcus granulosus tar DNA binding protein 0.0067 0.3068 0.3068
Schistosoma mansoni hypothetical protein 0.018 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.6763 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.128 0.128
Leishmania major trypanothione reductase 0.005 0.2019 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.2019 0.2985
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.128 0.128
Plasmodium falciparum thioredoxin reductase 0.005 0.2019 1
Brugia malayi TAR-binding protein 0.0067 0.3068 0.4559
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.5976 0.8837
Plasmodium falciparum glutathione reductase 0.005 0.2019 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.2019 0.2019
Brugia malayi MH2 domain containing protein 0.0127 0.6729 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Trypanosoma brucei trypanothione reductase 0.005 0.2019 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2186 0.1849
Brugia malayi RNA binding protein 0.0067 0.3068 0.4559
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.5976 0.8837
Schistosoma mansoni hypothetical protein 0.018 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.6729 1
Plasmodium vivax thioredoxin reductase, putative 0.005 0.2019 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3068 0.3068
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.128 0.128
Brugia malayi glutathione reductase 0.005 0.2019 0.3
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3068 0.3068
Plasmodium vivax glutathione reductase, putative 0.005 0.2019 1
Entamoeba histolytica hypothetical protein 0.0038 0.128 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.2186 0.3249
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.6763 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3068 0.3068
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.2186 0.3249
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.3068 0.4559
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.6763 1
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.2019 0.2019
Treponema pallidum NADH oxidase 0.0017 0 0.5

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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