Detailed information for compound 949353

Basic information

Technical information
  • TDR Targets ID: 949353
  • Name: 5-[(3-fluorophenyl)methylidene]-1,3-thiazolid ine-2,4-dione
  • MW: 223.224 | Formula: C10H6FNO2S
  • H donors: 1 H acceptors: 2 LogP: 2.3 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)/C(=C/c2cccc(c2)F)/S1
  • InChi: 1S/C10H6FNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
  • InChiKey: FHRKKLBIQCOIMF-YVMONPNESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
  • 5-[(3-fluorophenyl)methylene]thiazolidine-2,4-dione
  • (5Z)-5-[(3-fluorophenyl)methylene]thiazolidine-2,4-dione
  • 5-(3-fluorobenzylidene)thiazolidine-2,4-quinone
  • (5Z)-5-(3-fluorobenzylidene)thiazolidine-2,4-quinone
  • A0152/0006754
  • ZINC01231367

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Pim-1 proto-oncogene, serine/threonine kinase Starlite/ChEMBL References
Homo sapiens Pim-2 proto-oncogene, serine/threonine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative Get druggable targets OG5_134863 All targets in OG5_134863
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_134863 All targets in OG5_134863
Onchocerca volvulus Serine\/threonine protein kinase homolog Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Brugia malayi Serine/threonine-protein kinase Pim-3 Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus multilocularis proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus granulosus proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei protein lipid droplet kinase (LDK) Pim-2 proto-oncogene, serine/threonine kinase 311 aa 278 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0369 0.2362 0.4553
Brugia malayi hypothetical protein 0.0154 0.0924 0.0924
Brugia malayi Protein kinase domain containing protein 0.0193 0.1184 0.1184
Schistosoma mansoni serine/threonine protein kinase 0.0193 0.1184 0.298
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0283 0.1783 0.3292
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0256 0.0722
Loa Loa (eye worm) hypothetical protein 0.0369 0.2362 0.2362
Toxoplasma gondii LsmAD domain-containing protein 0.0239 0.1489 1
Schistosoma mansoni hypothetical protein 0.0611 0.3973 1
Schistosoma mansoni Smad4 0.0046 0.0203 0.0511
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0023 0.0045
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0256 0.0472
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0017 0.0017
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0193 0.1184 0.2266
Schistosoma mansoni hypothetical protein 0.0107 0.061 0.1536
Echinococcus multilocularis mothers against decapentaplegic 2 0.0046 0.0203 0.0375
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0129 0.0756 0.4893
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0017 0.0042
Schistosoma mansoni ap endonuclease 0.0019 0.0023 0.0059
Toxoplasma gondii hypothetical protein 0.0028 0.0085 0.0462
Entamoeba histolytica protein tyrosine phosphatase, putative 0.079 0.5169 1
Schistosoma mansoni smad1 5 8 and 0.0103 0.0584 0.147
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0017 0.0031
Schistosoma mansoni Smad4 0.0046 0.0203 0.0511
Schistosoma mansoni hypothetical protein 0.0283 0.1783 0.4487
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0017 0.0088
Schistosoma mansoni dep domain containing protein 0.0018 0.0017 0.0042
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0017 0.0017
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0193 0.1184 0.1184
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0445 0.0822
Loa Loa (eye worm) hypothetical protein 0.0018 0.0017 0.0017
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0085 0.0418
Schistosoma mansoni smad1 5 8 and 0.0103 0.0584 0.147
Echinococcus granulosus mothers against decapentaplegic 6 0.0046 0.0203 0.1065
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.079 0.5169 1
Schistosoma mansoni hypothetical protein 0.0283 0.1783 0.4487
Brugia malayi MH1 domain containing protein 0.0057 0.0276 0.0276
Echinococcus multilocularis isocitrate dehydrogenase 0.0129 0.0756 0.1396
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0107 0.061 0.32
Schistosoma mansoni smad 0.0046 0.0203 0.0511
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0243 0.1521 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.079 0.5169 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.079 0.5169 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0129 0.0756 0.2134
Plasmodium falciparum ataxin-2 like protein, putative 0.0239 0.1489 1
Echinococcus multilocularis GPCR, family 2 0.0283 0.1783 0.3292
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0017 0.0017
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0017 0.0031
Echinococcus granulosus smad 0.0103 0.0584 0.3061
Loa Loa (eye worm) hypothetical protein 0.0046 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0301 0.1907 0.1907
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0023 0.0045
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0129 0.0756 0.4893
Echinococcus multilocularis mothers against decapentaplegic 5 0.0103 0.0584 0.1078
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0445 0.112
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0546 0.3543 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0283 0.1783 0.9347
Schistosoma mansoni smad 0.0103 0.0584 0.147
Echinococcus multilocularis mothers against decapentaplegic 6 0.0046 0.0203 0.0375
Brugia malayi hypothetical protein 0.0018 0.0017 0.0017
Echinococcus granulosus mothers against decapentaplegic 2 0.0046 0.0203 0.1065
Trypanosoma cruzi PAB1-binding protein , putative 0.0239 0.1489 0.9788
Brugia malayi MH2 domain containing protein 0.0103 0.0584 0.0584
Brugia malayi MH1 domain containing protein 0.0057 0.0276 0.0276
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0445 0.2908
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0129 0.0756 0.4972
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.079 0.5169 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0017 0.0017
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0017 0.0088
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0445 0.2876
Loa Loa (eye worm) hypothetical protein 0.0057 0.0276 0.0276
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0445 0.2876
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0243 0.1521 0.2943
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0085 0.0418
Loa Loa (eye worm) transcription factor SMAD2 0.1514 1 1
Loa Loa (eye worm) hypothetical protein 0.0893 0.5861 0.5861
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0283 0.1783 0.9347
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0893 0.5861 0.5861
Brugia malayi mothers against decapentaplegic homolog 3 0.0046 0.0203 0.0203
Entamoeba histolytica protein tyrosine phosphatase, putative 0.079 0.5169 1
Loa Loa (eye worm) hypothetical protein 0.0283 0.1783 0.1783
Schistosoma mansoni dishevelled 0.0018 0.0017 0.0042
Toxoplasma gondii isocitrate dehydrogenase 0.0129 0.0756 0.5021
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0283 0.1783 0.1783
Loa Loa (eye worm) nuclear factor I 0.0057 0.0276 0.0276
Brugia malayi Muscleblind-like protein 0.0301 0.1907 0.1907
Loa Loa (eye worm) Smad1 0.0103 0.0584 0.0584
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.079 0.5169 0.5169
Trypanosoma cruzi PAB1-binding protein , putative 0.0239 0.1489 0.9788
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0445 0.2334
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0256 0.1341
Toxoplasma gondii exonuclease III APE 0.0019 0.0023 0.0045
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0017 0.0031
Schistosoma mansoni Smad4 0.0103 0.0584 0.147
Brugia malayi N-terminal motif family protein 0.0369 0.2362 0.2362
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0193 0.1184 0.1184
Schistosoma mansoni dishevelled 0.0018 0.0017 0.0042
Echinococcus multilocularis smad 0.0103 0.0584 0.1078
Loa Loa (eye worm) hypothetical protein 0.0611 0.3973 0.3973
Echinococcus multilocularis Smad4 0.0103 0.0584 0.1078
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0243 0.1521 0.2943
Schistosoma mansoni hypothetical protein 0.0283 0.1783 0.4487
Echinococcus multilocularis muscleblind protein 0.0301 0.1907 0.3522
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0893 0.5861 0.5861
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0256 0.5745
Leishmania major hypothetical protein, conserved 0.0239 0.1489 0.9792
Onchocerca volvulus 0.079 0.5169 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0107 0.061 0.1127
Schistosoma mansoni ap endonuclease 0.0019 0.0023 0.0059
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0023 0.0066
Echinococcus multilocularis muscleblind protein 1 0.0301 0.1907 0.3522
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0129 0.0756 0.4999
Brugia malayi Calcitonin receptor-like protein seb-1 0.0893 0.5861 0.5861
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0445 0.0861
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0017 0.0031
Loa Loa (eye worm) hypothetical protein 0.0018 0.0017 0.0017
Brugia malayi isocitrate dehydrogenase 0.0129 0.0756 0.0756
Brugia malayi Probable ClpP-like protease 0.0082 0.0445 0.0445
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0028 0.0085 0.1906
Brugia malayi MH1 domain containing protein 0.0103 0.0584 0.0584
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0017 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.0103 0.0584 0.0584
Echinococcus granulosus muscleblind protein 0.0301 0.1907 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0193 0.1184 0.1184
Loa Loa (eye worm) MH1 domain-containing protein 0.0046 0.0203 0.0203
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0023 0.0023
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0023 0.0023
Brugia malayi MH2 domain containing protein 0.0046 0.0203 0.0203
Toxoplasma gondii isocitrate dehydrogenase 0.0129 0.0756 0.5021
Brugia malayi Isocitrate dehydrogenase 0.0129 0.0756 0.0756
Brugia malayi MH1 domain containing protein 0.0103 0.0584 0.0584
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0023 0.0123
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0445 0.5
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0193 0.1184 0.6208
Loa Loa (eye worm) hypothetical protein 0.0239 0.1489 0.1489
Loa Loa (eye worm) MH1 domain-containing protein 0.0103 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0301 0.1907 0.1907
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.079 0.5169 1
Brugia malayi hypothetical protein 0.0239 0.1489 0.1489
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0046 0.0203 0.0362
Brugia malayi Latrophilin receptor protein 2 0.0283 0.1783 0.1783
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0129 0.0756 0.1396
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0827 0.5416 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0283 0.1783 0.3292
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0129 0.0756 0.1396
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0445 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0129 0.0756 0.4999
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0017 0.0042
Loa Loa (eye worm) hypothetical protein 0.0082 0.0445 0.0445
Leishmania major hypothetical protein, conserved 0.0243 0.1521 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0023 0.0043
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0017 0.0031
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0129 0.0756 0.1396
Loa Loa (eye worm) MH2 domain-containing protein 0.0046 0.0203 0.0203
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0023 0.0045
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.079 0.5169 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.079 0.5169 1
Trypanosoma cruzi hypothetical protein, conserved 0.0243 0.1521 1
Schistosoma mansoni hypothetical protein 0.0283 0.1783 0.4487
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0445 0.0861
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0193 0.1184 0.2186
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0129 0.0756 0.4893
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0129 0.0756 0.4893
Loa Loa (eye worm) latrophilin receptor protein 2 0.0283 0.1783 0.1783
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0129 0.0756 0.1396
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0129 0.0756 0.3965
Brugia malayi Smad1 0.0103 0.0584 0.0584
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0017 0.0088
Brugia malayi hypothetical protein 0.0018 0.0017 0.0017
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0103 0.0584 0.147
Trypanosoma cruzi hypothetical protein, conserved 0.0243 0.1521 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0129 0.0756 0.1903
Loa Loa (eye worm) MH2 domain-containing protein 0.1514 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0611 0.3973 0.3973
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0445 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0445 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0445 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0103 0.0584 0.3061
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0445 0.2908
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0103 0.0584 0.1078
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0023 0.0045
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0023 0.0154
Loa Loa (eye worm) isocitrate dehydrogenase 0.0129 0.0756 0.0756
Plasmodium falciparum ataxin-2 like protein, putative 0.0239 0.1489 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0103 0.0584 0.3061
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0023 0.0528
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0017 0.0088
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0017 0.0017
Brugia malayi DIX domain containing protein 0.0018 0.0017 0.0017
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0085 0.1455
Brugia malayi MH2 domain containing protein 0.0103 0.0584 0.0584
Schistosoma mansoni smad1 5 8 and 0.0103 0.0584 0.147
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0017 0.0017
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.079 0.5169 0.5169
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0017 0.0088
Plasmodium vivax ataxin-2 like protein, putative 0.0239 0.1489 1
Trypanosoma brucei PAB1-binding protein , putative 0.0239 0.1489 0.9788
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.079 0.5169 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0256 0.0722
Echinococcus granulosus Smad4 0.0103 0.0584 0.3061
Echinococcus granulosus GPCR family 2 0.0283 0.1783 0.9347

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.13 uM Inhibition of human recombinant Pim1 by ATP depletion assay ChEMBL. 19072652
IC50 (binding) = 0.4 uM Inhibition of human recombinant Pim2 by ATP depletion assay ChEMBL. 19072652
IC50 (functional) = 83 uM Antiproliferative activity against human PC3 cells after 48 hrs by MTS assay ChEMBL. 19072652

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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