Detailed information for compound 1197990

Basic information

Technical information
  • TDR Targets ID: 1197990
  • Name: 2-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxoin dol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thia zolidin-3-yl]acetic acid
  • MW: 444.911 | Formula: C20H13ClN2O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CN1C(=S)S/C(=C/2\c3ccccc3N(C2=O)Cc2ccccc2Cl)/C1=O
  • InChi: 1S/C20H13ClN2O4S2/c21-13-7-3-1-5-11(13)9-22-14-8-4-2-6-12(14)16(18(22)26)17-19(27)23(10-15(24)25)20(28)29-17/h1-8H,9-10H2,(H,24,25)/b17-16+
  • InChiKey: SYRWCMVZBIORDX-WUKNDPDISA-N  


Substructure search Similarity search

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Synonyms

  • 2-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxo-indolin-3-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
  • 2-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxo-3-indolinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid
  • 2-[(5E)-5-[1-(2-chlorobenzyl)-2-keto-indolin-3-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid
  • 2-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxo-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid
  • T0511-6448

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Trypanosoma brucei gambiense phosphoglycerate kinase, putative No references
Trypanosoma brucei phosphoglycerate kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K00927 phosphoglycerate kinase [EC2.7.2.3], putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum Phosphoglycerate kinase (EC 2.7.2.3), related Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium knowlesi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Mycobacterium leprae Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis PGKC, phosphoglycerate kinase C Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Treponema pallidum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium falciparum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii phosphoglycerate kinase PGKI Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Chlamydia trachomatis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium yoelii phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium ulcerans phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Giardia lamblia Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii phosphoglycerate kinase PGKII Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0772 0.0836
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.1099 0.1026
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1043 0.1233
Loa Loa (eye worm) hypothetical protein 0.0057 0.1532 0.1535
Brugia malayi jmjC domain containing protein 0.0115 0.3697 0.4241
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0206 0.7028 1
Schistosoma mansoni zinc finger protein 0.0024 0.0314 0.0276
Schistosoma mansoni hypothetical protein 0.0025 0.0361 0.0344
Schistosoma mansoni bromodomain containing protein 0.0076 0.2262 0.3098
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2102 0.2785
Treponema pallidum phosphoglycerate kinase 0.0206 0.7028 0.5
Plasmodium vivax phosphoglycerate kinase, putative 0.0206 0.7028 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0206 0.7028 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1043 0.1233
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2226 0.3046
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0446 0.0468
Onchocerca volvulus 0.0036 0.0772 0.0034
Echinococcus multilocularis peregrin 0.0038 0.0846 0.0945
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2124 0.2233
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0772 0.094
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0741 0.079
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2226 0.3046
Brugia malayi Bromodomain containing protein 0.0046 0.1148 0.1317
Loa Loa (eye worm) hypothetical protein 0.0052 0.1342 0.1312
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0206 0.7028 0.5
Brugia malayi PHD-finger family protein 0.003 0.0552 0.0633
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.2226 0.3046
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0201 0.0113
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0741 0.079
Trypanosoma brucei phosphoglycerate kinase, putative 0.0075 0.2226 0.3046
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1532 0.1949
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0446 0.0359
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1099 0.1414
Leishmania major phosphoglycerate kinase C, glycosomal 0.0206 0.7028 1
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.0894
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.2226 0.3046
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2823 0.391
Loa Loa (eye worm) hypothetical protein 0.0035 0.0741 0.0603
Brugia malayi Bromodomain containing protein 0.0091 0.2784 0.3194
Echinococcus granulosus zinc finger protein 0.0024 0.0314 0.0165
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0206 0.7028 0.5
Giardia lamblia Phosphoglycerate kinase 0.0206 0.7028 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1014 0.1191
Echinococcus multilocularis zinc finger protein 0.0024 0.0314 0.0165
Loa Loa (eye worm) hypothetical protein 0.006 0.1669 0.1697
Echinococcus granulosus jumonji domain containing protein 0.0049 0.125 0.1536
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1532 0.204
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0772 0.0049
Entamoeba histolytica phosphoglycerate kinase, putative 0.0206 0.7028 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0446 0.0359
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1532 0.1949
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0361 0.0156
Brugia malayi Pre-SET motif family protein 0.0251 0.8718 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1152 0.1087
Chlamydia trachomatis phosphoglycerate kinase 0.0206 0.7028 0.5
Loa Loa (eye worm) hypothetical protein 0.0206 0.7028 0.8009
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3697 0.5122
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0772 0.094
Mycobacterium ulcerans phosphoglycerate kinase 0.0206 0.7028 0.5
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.7028 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1257 0.1211
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.7028 1
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0206 0.7028 0.5
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0206 0.7028 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8718 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0772 0.0049
Brugia malayi Bromodomain containing protein 0.0038 0.0846 0.0971
Echinococcus granulosus peregrin 0.0038 0.0846 0.0945
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.125 0.1536
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0201 0.0113
Brugia malayi Pre-SET motif family protein 0.0036 0.0772 0.0885
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1099 0.1414
Trypanosoma brucei phosphoglycerate kinase 0.0075 0.2226 0.3046
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.7028 1
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.7028 1
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0075 0.2226 0.3046
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0741 0.0603
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.7028 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2102 0.2785
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3697 0.5122
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0723 0.0764
Brugia malayi jmjC domain containing protein 0.0045 0.1099 0.1261
Brugia malayi PHD-finger family protein 0.0035 0.0741 0.085
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1532 0.204
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.1099 0.1315
Plasmodium falciparum phosphoglycerate kinase 0.0206 0.7028 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0741 0.0894
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.7028 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2594 0.2786
Echinococcus granulosus phosphoglycerate kinase 1 0.0206 0.7028 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2226 0.3046
Echinococcus multilocularis phosphoglycerate kinase 1 0.0206 0.7028 1
Brugia malayi Phosphoglycerate kinase 0.0206 0.7028 0.8061
Brugia malayi Phosphoglycerate kinase 0.0075 0.2226 0.2553

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.61 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
IC50 (functional) 28.21 uM PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] ChEMBL. No reference
Potency (functional) 0.1259 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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