Detailed information for compound 838955

Basic information

Technical information
  • TDR Targets ID: 838955
  • Name: (5E)-5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]m ethylidene]-1,3-thiazolidine-2,4-dione
  • MW: 360.429 | Formula: C21H16N2O2S
  • H donors: 1 H acceptors: 2 LogP: 4.66 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)/C(=C/c2cc(n(c2c2ccccc2)c2ccccc2)C)/S1
  • InChi: 1S/C21H16N2O2S/c1-14-12-16(13-18-20(24)22-21(25)26-18)19(15-8-4-2-5-9-15)23(14)17-10-6-3-7-11-17/h2-13H,1H3,(H,22,24,25)/b18-13+
  • InChiKey: IMYHCRVPDWXBOM-QGOAFFKASA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
  • 5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methylene]thiazolidine-2,4-dione
  • (5E)-5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methylene]thiazolidine-2,4-dione
  • 5-[[5-methyl-1,2-di(phenyl)-3-pyrrolyl]methylene]thiazolidine-2,4-dione
  • (5E)-5-[[5-methyl-1,2-di(phenyl)-3-pyrrolyl]methylene]thiazolidine-2,4-dione
  • 5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methylene]thiazolidine-2,4-quinone
  • (5E)-5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methylene]thiazolidine-2,4-quinone
  • ZINC01187122
  • CBMicro_018152
  • BIM-0018221.P001

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) eukaryotic-type carbonic anhydrase 0.029 0.9203 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1187 0.1187
Brugia malayi hypothetical protein 0.0038 0.1187 0.129
Loa Loa (eye worm) hypothetical protein 0.0108 0.3411 0.3706
Schistosoma mansoni carbonic anhydrase 0.0108 0.3411 0.3411
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0315 1 1
Plasmodium falciparum carbonic anhydrase 0.0108 0.3411 0.5
Echinococcus multilocularis alkaline phosphatase 0.0315 1 1
Schistosoma mansoni alkaline phosphatase 0.0315 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.3411 0.3411
Echinococcus multilocularis Kelch repeat type 1 0.0099 0.314 0.314
Echinococcus multilocularis kelch ECH associated protein 1 0.0099 0.3132 0.3132
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0315 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.3411 0.3706
Schistosoma mansoni ferritin 0.0009 0.0267 0.0267
Schistosoma mansoni apoferritin-2 0.0009 0.0267 0.0267
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0267 0.5
Schistosoma mansoni alkaline phosphatase 0.0315 1 1
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0267 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0267 0.5
Echinococcus granulosus kelch ECH associated protein 1 0.0099 0.3132 0.3132
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1187 0.1187
Brugia malayi Putative carbonic anhydrase 5 precursor 0.029 0.9203 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.3411 0.3706
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.029 0.9203 0.9203
Echinococcus granulosus ferritin 0.0009 0.0267 0.0267
Echinococcus granulosus carbonic anhydrase 0.0108 0.3411 0.3411
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0108 0.3411 0.3706
Schistosoma mansoni ferritin 0.0009 0.0267 0.0267
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0315 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0108 0.3411 0.3706
Schistosoma mansoni hypothetical protein 0.0164 0.5191 0.5191
Echinococcus granulosus kelch ECH associated protein 1 like 0.0099 0.3132 0.3132
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0267 0.5
Echinococcus multilocularis carbonic anhydrase 0.0108 0.3411 0.3411
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.029 0.9203 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1187 0.1187
Entamoeba histolytica hypothetical protein 0.0038 0.1187 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.1187 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.029 0.9203 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.029 0.9203 0.5
Echinococcus granulosus carbonic anhydrase II 0.029 0.9203 0.9203
Schistosoma mansoni hypothetical protein 0.0038 0.1187 0.1187
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0267 0.5
Echinococcus multilocularis carbonic anhydrase 0.0108 0.3411 0.3411
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0315 1 1
Echinococcus multilocularis expressed protein 0.0009 0.0267 0.0267
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.029 0.9203 0.9203
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0108 0.3411 0.3706
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.3411 0.3411
Echinococcus multilocularis ferritin 0.0009 0.0267 0.0267
Schistosoma mansoni ferritin 0.0009 0.0267 0.0267
Schistosoma mansoni hypothetical protein 0.0099 0.314 0.314
Schistosoma mansoni ferritin light chain 0.0009 0.0267 0.0267
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.3411 0.3706
Echinococcus granulosus carbonic anhydrase 0.0108 0.3411 0.3411
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0267 0.5
Trypanosoma brucei carbonic anhydrase-like protein 0.029 0.9203 0.5
Echinococcus granulosus alkaline phosphatase 0.0315 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.3411 0.3706
Schistosoma mansoni apoferritin-2 0.0009 0.0267 0.0267
Echinococcus multilocularis carbonic anhydrase II 0.029 0.9203 0.9203
Trichomonas vaginalis ferritin, putative 0.0009 0.0267 0.5
Toxoplasma gondii hypothetical protein 0.0108 0.3411 0.5
Loa Loa (eye worm) hypothetical protein 0.0108 0.3411 0.3706
Echinococcus granulosus expressed protein 0.0009 0.0267 0.0267
Schistosoma mansoni hypothetical protein 0.0108 0.3411 0.3411
Entamoeba histolytica hypothetical protein 0.0038 0.1187 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.3411 0.3411
Echinococcus granulosus carbonic anhydrase 0.0108 0.3411 0.3411
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0267 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.029 0.9203 1
Schistosoma mansoni ferritin light chain 0.0009 0.0267 0.0267
Schistosoma mansoni ferritin 0.0009 0.0267 0.0267
Echinococcus multilocularis carbonic anhydrase 0.0108 0.3411 0.3411
Echinococcus granulosus kelch ECH associated protein 1 like 0.0099 0.3132 0.3132
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0315 1 1
Leishmania major carbonic anhydrase-like protein 0.029 0.9203 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.1187 0.5
Echinococcus multilocularis kelch ECH associated protein 1 0.0099 0.3132 0.3132

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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