Detailed information for compound 1593043

Basic information

Technical information
  • TDR Targets ID: 1593043
  • Name: 2-[2-[(2E)-2-[[3-[(2-chlorophenyl)methoxy]-4- methoxyphenyl]methylidene]hydrazinyl]-4-oxo-1 ,3-thiazol-5-yl]acetic acid
  • MW: 447.892 | Formula: C20H18ClN3O5S
  • H donors: 2 H acceptors: 3 LogP: 3.38 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OCc1ccccc1Cl)/C=N/NC1=NC(=O)C(S1)CC(=O)O
  • InChi: 1S/C20H18ClN3O5S/c1-28-15-7-6-12(8-16(15)29-11-13-4-2-3-5-14(13)21)10-22-24-20-23-19(27)17(30-20)9-18(25)26/h2-8,10,17H,9,11H2,1H3,(H,25,26)(H,23,24,27)/b22-10+
  • InChiKey: UDKPBBQVEDZQNJ-LSHDLFTRSA-N  


Substructure search Similarity search

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Synonyms

  • 2-[2-[2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetic acid
  • 2-[2-[(N'E)-N'-[[3-[(2-chlorophenyl)methoxy]-4-methoxy-phenyl]methylene]hydrazino]-4-oxo-thiazol-5-yl]acetic acid
  • 2-[2-[N'-[[3-[(2-chlorophenyl)methoxy]-4-methoxy-phenyl]methylene]hydrazino]-4-oxo-thiazol-5-yl]acetic acid
  • 2-[2-[(N'E)-N'-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylene]hydrazino]-4-oxo-5-thiazolyl]acetic acid
  • 2-[2-[N'-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylene]hydrazino]-4-oxo-5-thiazolyl]acetic acid
  • 2-[2-[N'-[3-(2-chlorobenzyl)oxy-4-methoxy-benzylidene]hydrazino]-4-keto-thiazol-5-yl]acetic acid
  • 2-[2-[(N'E)-N'-[3-(2-chlorobenzyl)oxy-4-methoxy-benzylidene]hydrazino]-4-keto-thiazol-5-yl]acetic acid
  • 2-[2-[2-[[3-[(2-chlorophenyl)methoxy]-4-methoxy-phenyl]methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]ethanoic acid
  • 2-[2-[(2E)-2-[[3-[(2-chlorophenyl)methoxy]-4-methoxy-phenyl]methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]ethanoic acid
  • SMR000207550
  • [(2E)-2-((2E)-{3-[(2-chlorobenzyl)oxy]-4-methoxybenzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
  • MLS000585569

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Trypanosoma brucei phosphoglycerate kinase Starlite/ChEMBL No references
Trypanosoma brucei gambiense phosphoglycerate kinase, putative No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Chlamydia trachomatis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium berghei phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum phosphoglycerate kinase C, glycosomal 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
Plasmodium yoelii 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
Leishmania braziliensis PGKC, phosphoglycerate kinase C Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii phosphoglycerate kinase PGKI Get druggable targets OG5_126776 All targets in OG5_126776
Treponema pallidum 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
Schistosoma mansoni 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
Echinococcus multilocularis phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium falciparum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 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
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Theileria parva phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K00927 phosphoglycerate kinase [EC2.7.2.3], putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Babesia bovis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium ulcerans 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
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii phosphoglycerate kinase PGKII Get druggable targets OG5_126776 All targets in OG5_126776
Giardia lamblia Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium hominis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium vivax phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana phosphoglycerate kinase B, cytosolic 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
Leishmania donovani phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus granulosus phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium leprae Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Leishmania major phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum Phosphoglycerate kinase (EC 2.7.2.3), related 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
Entamoeba histolytica phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
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) hypothetical protein 0.0029 0.0073 0.0139
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.231 0.3238
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0295 0.0594
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0103 0.0723 0.4386
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0541 0.4537 0.6395
Echinococcus multilocularis mitochondrial sodium:hydrogen exchanger 9B2 0.0103 0.0723 0.0987
Onchocerca volvulus 0.0058 0.0331 0.0578
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0295 0.1688
Entamoeba histolytica phosphoglycerate kinase, putative 0.0206 0.1614 1
Echinococcus granulosus mitochondrial sodium:hydrogen exchanger 9B2 0.0103 0.0723 0.0987
Echinococcus granulosus geminin 0.0205 0.1606 0.2238
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0073 0.0103
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0817 0.4981
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.1614 0.225
Mycobacterium ulcerans potassium/proton antiporter 0.0103 0.0723 0.0713
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0073 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0817 0.4981
Echinococcus multilocularis phosphoglycerate kinase 1 0.0206 0.1614 0.225
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0541 0.4537 0.6395
Mycobacterium leprae Isocitrate lyase 0.0548 0.4594 0.4554
Mycobacterium ulcerans membrane transporter 0.0103 0.0723 0.0713
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0027 0.0037
Chlamydia trachomatis phosphoglycerate kinase 0.0206 0.1614 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0541 0.4537 0.6395
Schistosoma mansoni DNA polymerase eta 0.0054 0.0295 0.038
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0316 0.182
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0073 0.0292
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0073 0.0063
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0541 0.4537 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0206 0.1614 1
Schistosoma mansoni hypothetical protein 0.0205 0.1606 0.2238
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0073 0.0292
Mycobacterium ulcerans ion antiporter, NhaP 0.0103 0.0723 0.0713
Loa Loa (eye worm) hypothetical protein 0.0541 0.4537 1
Giardia lamblia Kinase, PLK 0.0114 0.0817 0.1752
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0817 0.4981
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0541 0.4537 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0295 0.1688
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0206 0.1614 0.1552
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0817 0.4981
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.0541 0.4537 0.6395
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0073 0.0292
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0103 0.0723 0.4386
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0817 0.1752
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0029 0.0073 0.0139
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.0541 0.4537 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.1614 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0331 0.0431
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.708 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0073 0.0063
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.1614 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0817 0.1121
Toxoplasma gondii sodium/hydrogen exchanger 3 protein 0.0103 0.0723 0.3894
Loa Loa (eye worm) NHE-3 0.0541 0.4537 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0295 0.0628
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0027 0.0017
Schistosoma mansoni hypothetical protein 0.0205 0.1606 0.2238
Schistosoma mansoni sodium/hydrogen exchanger 0.0541 0.4537 0.6395
Brugia malayi Sodium/hydrogen exchanger 8 0.0103 0.0723 0.1543
Toxoplasma gondii sodium/hydrogen exchanger NHE2 0.0103 0.0723 0.3894
Entamoeba histolytica sodium/proton antiporter, putative 0.0103 0.0723 0.4386
Echinococcus multilocularis sodium:hydrogen exchanger 0.0541 0.4537 0.6395
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0075 0.0481 0.2861
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0206 0.1614 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0073 0.0063
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.1614 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.0295 0.038
Schistosoma mansoni kinase 0.0058 0.0329 0.0428
Plasmodium falciparum sodium/hydrogen exchanger, Na+, H+ antiporter 0.0103 0.0723 0.4445
Leishmania major Na/H antiporter-like protein 0.0103 0.0723 0.4386
Trypanosoma brucei phosphoglycerate kinase, putative 0.0075 0.0481 0.2861
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0541 0.4537 1
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0438 0.3638 0.512
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0103 0.0723 0.4386
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.1169 1 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.1614 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.708 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.0481 0.2861
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0817 0.1121
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.0481 0.2861
Schistosoma mansoni hypothetical protein 0.0058 0.0331 0.0431
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0541 0.4537 0.6395
Schistosoma mansoni Slc9a7 protein 0.0103 0.0723 0.0987
Plasmodium vivax phosphoglycerate kinase, putative 0.0206 0.1614 1
Mycobacterium ulcerans isocitrate lyase AceAb 0.1169 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0073 0.0073
Loa Loa (eye worm) sodium/hydrogen exchanger 0.0541 0.4537 1
Giardia lamblia Phosphoglycerate kinase 0.0206 0.1614 0.3518
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0073 0.0103
Loa Loa (eye worm) hypothetical protein 0.0029 0.0073 0.0139
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0073 0.0063
Brugia malayi Phosphoglycerate kinase 0.0075 0.0481 0.1007
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0073 0.0292
Loa Loa (eye worm) hypothetical protein 0.0103 0.0723 0.1574
Loa Loa (eye worm) sodium-hydrogen exchanger NHE1 0.0103 0.0723 0.1574
Echinococcus multilocularis geminin 0.0205 0.1606 0.2238
Echinococcus granulosus phosphoglycerate kinase 1 0.0206 0.1614 0.225
Onchocerca volvulus 0.0103 0.0723 0.1455
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0541 0.4537 0.6395
Loa Loa (eye worm) hypothetical protein 0.0541 0.4537 1
Treponema pallidum phosphoglycerate kinase 0.0206 0.1614 0.5
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.1614 1
Leishmania major DNA polymerase eta, putative 0.0054 0.0295 0.1688
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0155 0.0806
Echinococcus multilocularis sodium:hydrogen exchanger 7 0.0103 0.0723 0.0987
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0103 0.0723 0.0723
Brugia malayi hypothetical protein 0.0103 0.0723 0.1543
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0073 0.0103
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.0481 0.2861
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.1169 1 1
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) 0.0438 0.3638 0.512
Echinococcus granulosus dna polymerase eta 0.0054 0.0295 0.038
Brugia malayi Phosphoglycerate kinase 0.0206 0.1614 0.3518
Echinococcus granulosus sodium:hydrogen exchanger 0.0541 0.4537 0.6395
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.231 0.3238
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.1614 0.225
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.1169 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0817 0.1783
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.001 0.001
Echinococcus granulosus sodium:hydrogen exchanger 7 0.0103 0.0723 0.0987
Entamoeba histolytica sodium/proton antiporter, putative 0.0103 0.0723 0.4386
Loa Loa (eye worm) hypothetical protein 0.0103 0.0723 0.1574
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0073 0.0292
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0073 0.0063
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0541 0.4537 0.6395
Mycobacterium ulcerans hypothetical protein 0.0029 0.0073 0.0063
Trypanosoma brucei polo-like protein kinase 0.0114 0.0817 0.4981
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0073 0.0063
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0206 0.1614 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0073 0.0292
Toxoplasma gondii Na+/H+ exchanger NHE1 0.0103 0.0723 0.3894
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0331 0.0675
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0103 0.0723 0.4386
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0103 0.0723 0.1543
Plasmodium vivax sodium/hydrogen exchanger 1, putative 0.0103 0.0723 0.4445
Trypanosoma brucei phosphoglycerate kinase 0.0075 0.0481 0.2861
Loa Loa (eye worm) hypothetical protein 0.0541 0.4537 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0316 0.182
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0206 0.1614 1
Leishmania major hypothetical protein, conserved 0.0103 0.0723 0.4386
Schistosoma mansoni hypothetical protein 0.0103 0.0723 0.0987
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0073 0.0073
Giardia lamblia Sodium/hydrogen exchanger 3 0.0541 0.4537 1
Mycobacterium leprae probable conserved integral membrane transport protein 0.0103 0.0723 0.0654
Leishmania major phosphoglycerate kinase C, glycosomal 0.0206 0.1614 1
Mycobacterium ulcerans phosphoglycerate kinase 0.0206 0.1614 0.1605
Schistosoma mansoni sodium/hydrogen exchanger 3 (nhe3) 0.0103 0.0723 0.0987
Loa Loa (eye worm) hypothetical protein 0.0206 0.1614 0.3542
Leishmania major DNA polymerase eta, putative 0.0038 0.0155 0.0806
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0817 0.4981
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0027 0.0027
Echinococcus granulosus sodium:hydrogen exchanger 0.0541 0.4537 0.6395
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0027 0.0017
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0817 0.1667
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.1614 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.708 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0817 0.4981
Onchocerca volvulus 0.0103 0.0723 0.1455
Schistosoma mansoni hypothetical protein 0.0103 0.0723 0.0987
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0817 0.1121
Toxoplasma gondii Na+/H+ exchanger NHE3 0.0103 0.0723 0.3894
Brugia malayi hypothetical protein 0.0286 0.231 0.5063
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0817 0.4981
Mycobacterium tuberculosis Probable conserved integral membrane transport protein YjcE 0.0103 0.0723 0.0723
Plasmodium falciparum phosphoglycerate kinase 0.0206 0.1614 1
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0541 0.4537 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.0481 0.2861
Mycobacterium ulcerans isocitrate lyase Icl 0.1169 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0817 0.4981
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.0481 0.2861
Echinococcus multilocularis sodium:hydrogen exchanger 0.0541 0.4537 0.6395
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0206 0.1614 0.1614
Loa Loa (eye worm) hypothetical protein 0.0286 0.231 0.5081
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0817 0.4981
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0817 0.4981
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0817 0.4981

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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