Detailed information for compound 816349

Basic information

Technical information
  • TDR Targets ID: 816349
  • Name: 3-[5-[3-(3-diethylamino-3-oxopropyl)-4-oxo-2- sulfanylidene-1,3-thiazolidin-5-ylidene]-4-ox o-2-sulfanylidene-1,3-thiazolidin-3-yl]-N,N-d iethylpropanamide
  • MW: 516.721 | Formula: C20H28N4O4S4
  • H donors: 0 H acceptors: 4 LogP: 2.09 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(=O)CCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCC(=O)N(CC)CC)/C1=O)CC
  • InChi: 1S/C20H28N4O4S4/c1-5-21(6-2)13(25)9-11-23-17(27)15(31-19(23)29)16-18(28)24(20(30)32-16)12-10-14(26)22(7-3)8-4/h5-12H2,1-4H3/b16-15+
  • InChiKey: ACUDEBWYLXBYKB-FOCLMDBBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(5E)-5-[3-(3-diethylamino-3-oxopropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N,N-diethylpropanamide
  • 3-[5-[3-(3-diethylamino-3-oxo-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N,N-diethyl-propanamide
  • 3-[(5E)-5-[3-(3-diethylamino-3-oxo-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N,N-diethyl-propanamide
  • 3-[(5E)-5-[3-(3-diethylamino-3-oxopropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-N,N-diethylpropanamide
  • 3-[5-[3-(3-diethylamino-3-oxopropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-N,N-diethylpropanamide
  • 3-[5-[3-(3-diethylamino-3-keto-propyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]-N,N-diethyl-propionamide
  • 3-[(5E)-5-[3-(3-diethylamino-3-keto-propyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]-N,N-diethyl-propionamide
  • 3-[5-[3-(3-diethylamino-3-oxo-propyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N,N-diethyl-propanamide
  • 3-[(5E)-5-[3-(3-diethylamino-3-oxo-propyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N,N-diethyl-propanamide
  • BIM-0006254.P001
  • ZINC06142347
  • Oprea1_417047
  • CBMicro_006343

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
Entamoeba histolytica tubulin family protein 0.0026 0.1206 1
Echinococcus multilocularis beta tubulin 0.0026 0.1206 0.1206
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0032 0.0268
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0017 0.0514 0.4258
Loa Loa (eye worm) tubulin beta chain 0.0026 0.1206 1
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0514 0.4258
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0.0514 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0032 0.0032
Trypanosoma brucei unspecified product 0.0017 0.0514 0.4258
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0032 0.0032
Brugia malayi Tubulin beta-1 chain 0.0026 0.1206 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0032 0.0032
Schistosoma mansoni tubulin subunit beta 0.0026 0.1206 0.1206
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0514 0.4258
Leishmania major beta tubulin 0.0026 0.1206 1
Brugia malayi beta-tubulin, identical 0.0026 0.1206 1
Leishmania major beta tubulin 0.0026 0.1206 1
Echinococcus multilocularis dna polymerase kappa 0.0017 0.0514 0.0514
Brugia malayi steroid hormone receptor 0.0011 0.0032 0.0268
Entamoeba histolytica tubulin family protein 0.0026 0.1206 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.1206 0.1206
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Echinococcus granulosus beta tubulin 0.0026 0.1206 0.1311
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0032 0.0268
Trichomonas vaginalis tubulin beta chain, putative 0.0026 0.1206 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0032 0.0032
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0032 0.0032
Loa Loa (eye worm) BEN-1 protein 0.0026 0.1206 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0032 0.0268
Mycobacterium ulcerans DNA polymerase IV 0.0017 0.0514 0.5
Schistosoma mansoni tubulin subunit beta 0.0026 0.1206 0.1206
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Toxoplasma gondii beta-1 tubulin, putative 0.0026 0.1206 1
Leishmania major beta tubulin 0.0026 0.1206 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0026 0.1206 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0032 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0032 0.0268
Echinococcus granulosus dna polymerase kappa 0.0017 0.0514 0.0558
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Trichomonas vaginalis tubulin, putative 0.0026 0.1206 1
Giardia lamblia Beta tubulin 0.0026 0.1206 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0032 0.0268
Leishmania major beta tubulin 0.0026 0.1206 1
Schistosoma mansoni coup transcription factor 0.0011 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.1206 0.1311
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.1206 0.1206
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0032 0.0268
Echinococcus multilocularis dna polymerase eta 0.0017 0.0514 0.0514
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0032 0.0268
Leishmania major beta tubulin 0.0026 0.1206 1
Leishmania major beta tubulin 0.0026 0.1206 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0032 0.0032
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0032 0.0035
Trypanosoma brucei beta tubulin 0.0026 0.1206 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.1206 0.1206
Trypanosoma brucei unspecified product 0.0012 0.0116 0.096
Schistosoma mansoni tubulin subunit beta 0.0026 0.1206 0.1206
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0032 0.0268
Loa Loa (eye worm) tubulin beta-1 chain 0.0026 0.1206 1
Leishmania major beta tubulin 0.0026 0.1206 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0032 0.0268
Plasmodium falciparum tubulin beta chain 0.0026 0.1206 1
Leishmania major beta tubulin 0.0026 0.1206 1
Schistosoma mansoni hypothetical protein 0.0132 0.92 0.92
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0032 0.0268
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0032 0.0032
Brugia malayi nuclear hormone receptor 0.0011 0.0032 0.0268
Echinococcus granulosus tubulin beta 4A class IVa 0.0026 0.1206 0.1311
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0032 0.0032
Echinococcus granulosus beta tubulin 0.0026 0.1206 0.1311
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0032 0.0032
Trichomonas vaginalis tubulin epsilon chain, putative 0.0026 0.1206 1
Schistosoma mansoni DNA polymerase eta 0.0017 0.0514 0.0514
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0032 0.5
Schistosoma mansoni tubulin subunit beta 0.0026 0.1206 0.1206
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0032 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Trypanosoma brucei beta tubulin 0.0026 0.1206 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Echinococcus multilocularis beta tubulin 0.0026 0.1206 0.1206
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0032 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0032 0.0268
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.1206 0.1206
Trichomonas vaginalis tubulin gamma chain, putative 0.0026 0.1206 1
Trypanosoma brucei DNA polymerase eta, putative 0.0017 0.0514 0.4258
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0514 0.0514
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0032 0.0268
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Trypanosoma brucei beta tubulin 0.0026 0.1206 1
Trypanosoma brucei unspecified product 0.0012 0.0116 0.096
Toxoplasma gondii beta tubulin 0.0026 0.1206 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0017 0.0514 0.4258
Trypanosoma brucei DNA polymerase kappa, putative 0.0012 0.0116 0.096
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0032 0.0268
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Leishmania major beta tubulin 0.0026 0.1206 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Plasmodium vivax tubulin beta chain, putative 0.0026 0.1206 1
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0514 0.4258
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.1206 0.1206
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.1206 0.1311
Echinococcus granulosus tubulin subunit beta 0.0026 0.1206 0.1311
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0032 0.0032
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0032 0.5
Giardia lamblia DINP protein human, muc B family 0.0017 0.0514 0.4258
Trypanosoma brucei beta tubulin 0.0026 0.1206 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.0032 0.0268
Trypanosoma brucei DNA polymerase kappa, putative 0.0012 0.0116 0.096
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0026 0.1206 0.1206
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0132 0.92 0.92
Entamoeba histolytica deoxycytidyl transferase, putative 0.0017 0.0514 0.4258
Leishmania major DNA polymerase eta, putative 0.0017 0.0514 0.4258
Loa Loa (eye worm) hypothetical protein 0.0017 0.0514 0.4258
Schistosoma mansoni thyroid hormone receptor 0.0142 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0032 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0032 0.0268
Echinococcus multilocularis tubulin beta 1 chain 0.0026 0.1206 0.1206
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0032 0.0032
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0032 0.0035
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0514 0.0514
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0032 0.0268
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0032 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0017 0.0514 0.5
Schistosoma mansoni thyroid hormone receptor 0.0142 1 1
Leishmania major beta tubulin 0.0026 0.1206 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0032 0.0032
Leishmania major DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0032 0.0032
Giardia lamblia Beta tubulin 0.0026 0.1206 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0032 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0032 0.0268
Loa Loa (eye worm) BEN-1 protein 0.0026 0.1206 1
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.1206 0.1311
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0514 0.4258
Schistosoma mansoni tubulin subunit beta 0.0026 0.1206 0.1206
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.1206 0.1311
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0032 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0032 0.0268
Leishmania major beta tubulin 0.0026 0.1206 1
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.1206 0.1311
Schistosoma mansoni tubulin subunit beta 0.0026 0.1206 0.1206
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0032 0.0032
Leishmania major beta tubulin 0.0026 0.1206 1
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0514 0.4258
Leishmania major beta tubulin 0.0026 0.1206 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0017 0.0514 0.4258
Loa Loa (eye worm) beta-tubulin 0.0026 0.1206 1
Brugia malayi ecdysteroid receptor 0.0011 0.0032 0.0268
Trypanosoma brucei DNA polymerase kappa, putative 0.0012 0.0116 0.096
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0032 0.0032
Trichomonas vaginalis tubulin alpha chain, putative 0.0026 0.1206 1
Trypanosoma cruzi beta tubulin, putative 0.0026 0.1206 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0514 0.4258
Leishmania major beta tubulin 0.0026 0.1206 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0514 0.4258
Mycobacterium ulcerans DNA polymerase IV 0.0017 0.0514 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0032 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0032 0.0268
Toxoplasma gondii beta-tubulin, putative 0.0026 0.1206 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0268
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0032 0.0032
Leishmania major beta tubulin 0.0026 0.1206 1
Leishmania major beta tubulin 0.0026 0.1206 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0032 0.0035
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0032 0.0268
Loa Loa (eye worm) tubulin beta-4 chain 0.0026 0.1206 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0514 0.0558
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0032 0.0268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0032 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0032 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0032 0.0268
Leishmania major beta tubulin 0.0026 0.1206 1
Onchocerca volvulus 0.0011 0.0032 0.5
Leishmania major beta tubulin 0.0026 0.1206 1
Echinococcus multilocularis tubulin subunit beta 0.0026 0.1206 0.1206
Echinococcus granulosus dna polymerase eta 0.0017 0.0514 0.0558
Trichomonas vaginalis tubulin epsilon chain, putative 0.0026 0.1206 1
Echinococcus granulosus tubulin beta 1 chain 0.0026 0.1206 0.1311
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0514 0.0514
Giardia lamblia Beta tubulin 0.0026 0.1206 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0017 0.0514 0.4258
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0032 0.0035
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0132 0.92 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0032 0.0268
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0514 0.4258

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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