Detailed information for compound 819602

Basic information

Technical information
  • TDR Targets ID: 819602
  • Name: (5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]- 5-methoxyphenyl]methylidene]-3-prop-2-enyl-2- sulfanylidene-1,3-thiazolidin-4-one
  • MW: 494.397 | Formula: C21H17BrFNO3S2
  • H donors: 0 H acceptors: 1 LogP: 5.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1C(=S)S/C(=C/c2cc(Br)c(c(c2)OC)OCc2ccc(cc2)F)/C1=O
  • InChi: 1S/C21H17BrFNO3S2/c1-3-8-24-20(25)18(29-21(24)28)11-14-9-16(22)19(17(10-14)26-2)27-12-13-4-6-15(23)7-5-13/h3-7,9-11H,1,8,12H2,2H3/b18-11+
  • InChiKey: DIDBJUMGZARIHY-WOJGMQOQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5E)-3-allyl-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylene]-2-thioxo-thiazolidin-4-one
  • (5E)-3-allyl-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-2-thioxo-4-thiazolidinone
  • (5E)-3-allyl-5-[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzylidene]-2-thioxo-thiazolidin-4-one
  • (5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
  • 6213-31-6
  • STK081296
  • BIM-0010945.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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0038 0.0029
Loa Loa (eye worm) hypothetical protein 0.0395 0.0676 0.0668
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Echinococcus granulosus Coagulation factor 5 8 type C terminal 0.0055 0.0049 0.0043
Mycobacterium tuberculosis Possible arabinofuranosyltransferase AftD 0.0055 0.0049 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0417 0.0716 0.0711
Toxoplasma gondii hypothetical protein 0.446 0.8185 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0248 0.0405 0.0397
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Echinococcus granulosus discoidin domain containing receptor 2 0.0055 0.0049 0.0043
Schistosoma mansoni discoidin domain receptor 0.0055 0.0049 0.0345
Echinococcus multilocularis tyrosine protein kinase Abl 0.0174 0.0268 0.0263
Loa Loa (eye worm) hypothetical protein 0.446 0.8185 0.8184
Schistosoma mansoni hypothetical protein 0.0034 0.0009 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0038 0.0029
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.5442 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Schistosoma mansoni discoidin domain receptor 0.0055 0.0049 0.0345
Plasmodium vivax LCCL domain-containing protein 0.0055 0.0049 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0049 0.0345
Toxoplasma gondii PA14 domain-containing protein 0.0055 0.0049 0.0053
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.446 0.8185 0.8184
Brugia malayi Stress-activated protein kinase jnk-1 0.0712 0.1262 0.1255
Echinococcus multilocularis discoidin domain containing receptor 2 0.0055 0.0049 0.0043
Brugia malayi Protein kinase domain containing protein 0.045 0.0778 0.077
Toxoplasma gondii F5/8 type C domain-containing protein 0.0055 0.0049 0.0053
Echinococcus multilocularis discoidin domain containing receptor 2 0.0055 0.0049 0.0043
Echinococcus multilocularis mitogen activated protein kinase 11 0.5442 1 1
Toxoplasma gondii F5/8 type C domain-containing protein 0.0055 0.0049 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0712 0.1262 0.1255
Echinococcus granulosus tyrosine protein kinase ABL1 0.0417 0.0716 0.0711
Onchocerca volvulus 0.045 0.0778 1
Echinococcus multilocularis nuclear receptor 2C2 associated protein 0.0055 0.0049 0.0043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0038 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0055 0.0049 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0055 0.0049 0.5
Echinococcus granulosus mitogen activated protein kinase 11 0.5442 1 1
Schistosoma mansoni btb and poz domain-containing protein 0.0055 0.0049 0.0345
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0055 0.0049 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0055 0.0049 1
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0712 0.1262 1
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0712 0.1262 0.1258
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0055 0.0049 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0417 0.0716 0.0708
Echinococcus granulosus mitogen activated protein kinase 14 0.5442 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.5442 1 1
Loa Loa (eye worm) hypothetical protein 0.0442 0.0762 0.0754
Echinococcus multilocularis discoidin domain receptor 0.0055 0.0049 0.0043
Echinococcus granulosus c-Jun N-terminal kinases 0.0712 0.1262 0.1258
Echinococcus multilocularis discoidin domain containing receptor 2 0.0055 0.0049 0.0043
Echinococcus granulosus discoidin domain containing receptor 2 0.0055 0.0049 0.0043
Trichomonas vaginalis hypothetical protein 0.0055 0.0049 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0174 0.0268 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.5442 1 1
Schistosoma mansoni septate junction protein 0.0055 0.0049 0.0345
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.5442 1 1
Echinococcus granulosus discoidin domain containing receptor 2 0.0055 0.0049 0.0043
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.5442 1 1
Schistosoma mansoni tyrosine kinase 0.0411 0.0705 0.5568
Loa Loa (eye worm) hypothetical protein 0.446 0.8185 0.8184
Loa Loa (eye worm) hypothetical protein 0.446 0.8185 0.8184
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.5442 1 1
Echinococcus multilocularis Coagulation factor 5 8 type, C terminal 0.0055 0.0049 0.0043
Plasmodium vivax LCCL domain-containing protein 0.0055 0.0049 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0043 0.0027 0.0021
Loa Loa (eye worm) hypothetical protein 0.0055 0.0049 0.004
Echinococcus multilocularis mitogen activated protein kinase 14 0.5442 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0049 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0049 0.5
Mycobacterium leprae PROBABLE CONSERVED TRANSMEMBRANE PROTEIN 0.0055 0.0049 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.0247 0.0238
Entamoeba histolytica protein kinase domain containing protein 0.0032 0.0005 1
Echinococcus granulosus discoidin domain receptor 0.0442 0.0762 0.0757
Echinococcus multilocularis mitogen activated protein kinase 11 0.5442 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0038 0.0029
Loa Loa (eye worm) TK/DDR protein kinase 0.0395 0.0676 0.0668
Schistosoma mansoni dock 0.0055 0.0049 0.0345
Plasmodium falciparum LCCL domain-containing protein 0.0055 0.0049 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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