Detailed information for compound 1326480

Basic information

Technical information
  • TDR Targets ID: 1326480
  • Name: 2-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4- oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]prop anoylamino]benzoic acid
  • MW: 446.927 | Formula: C20H15ClN2O4S2
  • H donors: 2 H acceptors: 4 LogP: 4.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(=O)O)CCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O
  • InChi: 1S/C20H15ClN2O4S2/c21-14-7-3-1-5-12(14)11-16-18(25)23(20(28)29-16)10-9-17(24)22-15-8-4-2-6-13(15)19(26)27/h1-8,11H,9-10H2,(H,22,24)(H,26,27)/b16-11-
  • InChiKey: HFWQABYFINSMAW-WJDWOHSUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
  • 2-[3-[(5Z)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid
  • 2-[3-[5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid
  • 2-[[3-[(5Z)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid
  • 2-[[3-[5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid
  • 2-[3-[5-(2-chlorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid
  • 2-[3-[(5Z)-5-(2-chlorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid
  • STOCK2S-53602

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Envelope glycoprotein gp160 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum choline kinase 0.0422 1 1
Loa Loa (eye worm) choline/ethanolamine kinase 0.0041 0.0742 0.0663
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Schistosoma mansoni glutaminase 0.033 0.776 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0222 0.0106
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0315 0.2853
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0524 0.481
Toxoplasma gondii phosphotransferase enzyme family protein 0.0422 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0742 0.0663
Loa Loa (eye worm) choline/ethanolamine kinase 0.0422 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0804 0.0505
Onchocerca volvulus 0.0052 0.1019 0.9285
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0273 0.3255
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0357 0.0167
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0044 0.0527
Loa Loa (eye worm) hypothetical protein 0.0023 0.0315 0.0232
Onchocerca volvulus 0.0041 0.0742 0.4916
Trypanosoma brucei choline kinase 0.0041 0.0742 0.98
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0315 0.011
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0431 0.5131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.109 0.08
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.109 0.1014
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0336 0.172
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0336 0.0139
Leishmania major hypothetical protein, conserved 0.0041 0.0755 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0357 0.4254
Loa Loa (eye worm) hypothetical protein 0.0051 0.0975 0.0898
Mycobacterium ulcerans polyketide synthase 0.003 0.0479 0.0328
Loa Loa (eye worm) glutaminase 0.033 0.776 0.7741
Schistosoma mansoni choline/ethanolamine kinase 0.0041 0.0742 0.0574
Loa Loa (eye worm) hypothetical protein 0.0017 0.0158 0.0074
Schistosoma mansoni choline kinase 0.0041 0.0742 0.0574
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.084 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0524 0.0388
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.109 0.1041
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0755 0.0013
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0755 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.084 1
Trypanosoma cruzi choline kinase 0.0041 0.0742 0.972
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0755 0.0013
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.084 0.0807
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0479 0.4065
Leishmania major choline kinase 0.0041 0.0742 0.972
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.109 0.08
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0755 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0804 0.0505
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0041 0.0742 0.4916
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.0456 0.5436
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.109 0.08
Trichomonas vaginalis glutaminase, putative 0.033 0.776 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0479 0.0328
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0755 0.0676
Loa Loa (eye worm) fatty acid synthase 0.003 0.0469 0.0388
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0041 0.0742 0.8745
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0524 0.6242
Trypanosoma brucei choline/ethanolamine kinase 0.0041 0.0742 0.98
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0755 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0164 0.1953
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0479 0.0328
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.109 0.08
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0357 0.2064
Entamoeba histolytica hypothetical protein 0.0043 0.0804 1
Toxoplasma gondii phosphotransferase enzyme family protein 0.0041 0.0742 0.0632
Brugia malayi Augmenter of liver regeneration 0.0041 0.0755 0.0454
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0524 0.0411
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0755 0.0454
Mycobacterium ulcerans glutaminase 0.033 0.776 1
Entamoeba histolytica hypothetical protein 0.0043 0.0804 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0315 0.2853
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0524 0.6242
Echinococcus multilocularis choline:ethanolamine kinase 0.0422 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0315 0.0232
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.1064 1
Giardia lamblia Ethanolamine kinase, putative 0.0041 0.0742 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0315 0.3749
Entamoeba histolytica hypothetical protein 0.0043 0.0804 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0755 0.0644
Toxoplasma gondii phosphotransferase enzyme family protein 0.0041 0.0742 0.0632
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0431 0.012
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0315 0.2853
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0479 0.4065
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0524 0.481
Brugia malayi glutaminase DH11.1 0.033 0.776 0.7687
Schistosoma mansoni choline/ethanolamine kinase 0.0041 0.0742 0.0574
Mycobacterium ulcerans polyketide synthase 0.0032 0.0524 0.0388
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.109 0.1041
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0524 0.0388
Echinococcus granulosus ethanolamine kinase 2 0.0041 0.0742 0.0441
Trypanosoma brucei unspecified product 0.0023 0.0315 0.2853
Loa Loa (eye worm) choline Kinase A 0.0041 0.0742 0.0663
Echinococcus multilocularis ethanolamine kinase 2 0.0041 0.0742 0.0441
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0336 0.0139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.109 0.1041
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0315 0.2853
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0431 0.0349
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0755 0.0644
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.109 0.08
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0315 0.011
Mycobacterium ulcerans thioesterase 0.0025 0.0357 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0269 0.0152
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0346 0.4119
Brugia malayi Choline/ethanolamine kinase family protein 0.0041 0.0742 0.0441
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0524 0.6242
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0804 0.0656
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0479 0.5702
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0479 0.0328
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0315 0.3749
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0524 0.481
Plasmodium vivax choline kinase, putative 0.0422 1 1
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0041 0.0742 0.0574
Schistosoma mansoni hypothetical protein 0.0043 0.0804 0.0656
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.1132 0.0844
Brugia malayi Choline/ethanolamine kinase family protein 0.0041 0.0742 0.0441
Entamoeba histolytica hypothetical protein 0.0043 0.0804 1
Echinococcus granulosus choline:ethanolamine kinase 0.0422 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0479 0.0169
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0479 0.0328
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0755 0.0454
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0041 0.0742 0.8745
Brugia malayi hypothetical protein 0.0043 0.0804 0.0505
Loa Loa (eye worm) glutaminase 2 0.033 0.776 0.7741
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0041 0.0742 0.972
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.0456 0.5436
Leishmania major choline/ethanolamine kinase, putative 0.0041 0.0742 0.972
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0479 0.5702
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0479 0.5702
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.2853
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0755 1
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.084 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 2.462 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
IC50 (functional) 5.37 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 6.5 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 19.4 uM PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967] ChEMBL. No reference
IC50 (functional) 77.73 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
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 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 Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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