Detailed information for compound 1463099

Basic information

Technical information
  • TDR Targets ID: 1463099
  • Name: 5-[[3-(phenoxy)phenyl]methylidene]-1,3-thiazo lidine-2,4-dione
  • MW: 297.328 | Formula: C16H11NO3S
  • H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1S/C(=C\c2cccc(c2)Oc2ccccc2)/C(=O)N1
  • InChi: 1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b14-10-
  • InChiKey: KUGWAQWUAGDMPL-UVTDQMKNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[[3-(phenoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
  • 5-[[3-(phenoxy)phenyl]methylene]thiazolidine-2,4-dione
  • (5Z)-5-[[3-(phenoxy)phenyl]methylene]thiazolidine-2,4-dione
  • 5-[3-(phenoxy)benzylidene]thiazolidine-2,4-quinone
  • (5Z)-5-[3-(phenoxy)benzylidene]thiazolidine-2,4-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldo-keto reductase family 1, member B1 (aldose reductase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Conserved protein aldo-keto reductase family 1, member B1 (aldose reductase) 316 aa 325 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Giardia lamblia Aldose reductase 0.0038 0.2951 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.2951 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Onchocerca volvulus 0.0038 0.2951 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Mycobacterium ulcerans oxidoreductase 0.0038 0.2951 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.2951 0.5
Leishmania major prostaglandin f synthase, putative 0.0038 0.2951 0.5
Echinococcus granulosus aldo keto reductase 0.0038 0.2951 0.2951
Onchocerca volvulus 0.0038 0.2951 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Loa Loa (eye worm) TAR-binding protein 0.0065 1 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.2951 0.2951
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Onchocerca volvulus 0.0038 0.2951 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.2951 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Onchocerca volvulus 0.0038 0.2951 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0038 0.2951 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Trypanosoma brucei aldo-keto reductase, putative 0.0038 0.2951 0.5
Onchocerca volvulus 0.0038 0.2951 0.5
Echinococcus granulosus aldo keto reductase 0.0038 0.2951 0.2951
Onchocerca volvulus 0.0038 0.2951 0.5
Echinococcus granulosus tar DNA binding protein 0.0065 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.2951 0.5
Brugia malayi TAR-binding protein 0.0065 1 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.2951 0.2951
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.2951 0.5
Echinococcus granulosus hypothetical protein 0.0038 0.2951 0.2951
Echinococcus multilocularis aldo keto reductase 0.0038 0.2951 0.2951
Trypanosoma cruzi aldo-keto reductase 0.0038 0.2951 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Loa Loa (eye worm) RNA binding protein 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Entamoeba histolytica aldose reductase, putative 0.0038 0.2951 0.5
Entamoeba histolytica aldose reductase, putative 0.0038 0.2951 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Echinococcus granulosus aldo keto reductase 0.0038 0.2951 0.2951
Giardia lamblia Aldose reductase 0.0038 0.2951 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Entamoeba histolytica aldose reductase, putative 0.0038 0.2951 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Echinococcus multilocularis tar DNA binding protein 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.2951 0.2951
Brugia malayi RNA recognition motif domain containing protein 0.0065 1 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.2951 0.2951
Leishmania major aldo-keto reductase-like protein 0.0038 0.2951 0.5
Trypanosoma brucei prostaglandin f synthase 0.0038 0.2951 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.2951 0.5
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0038 0.2951 0.5
Toxoplasma gondii aldose reductase, putative 0.0038 0.2951 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0038 0.2951 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.2951 0.2951
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.2951 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.2951 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.2951 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.553 Inhibition of aldose reductase (unknown origin) LITERATURE. No reference
IC50 (binding) = 0.28 nM Inhibition of aldose reductase (unknown origin) LITERATURE. No reference
IC50 (binding) = 6.14 uM Inhibition of aldose reductase ChEMBL. 21129963

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

1 literature reference was collected for this gene.

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