Detailed information for compound 151050

Basic information

Technical information
  • TDR Targets ID: 151050
  • Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thioph en-2-yl)-3-morpholin-4-ylsulfonylbenzamide
  • MW: 417.502 | Formula: C19H19N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)sc2c1CCC2
  • InChi: 1S/C19H19N3O4S2/c20-12-16-15-5-2-6-17(15)27-19(16)21-18(23)13-3-1-4-14(11-13)28(24,25)22-7-9-26-10-8-22/h1,3-4,11H,2,5-10H2,(H,21,23)
  • InChiKey: VVWOUHADCOTWCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholinosulfonyl-benzamide
  • N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholinosulfonylbenzamide
  • N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylsulfonyl-benzamide
  • N-(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)-3-morpholin-4-ylsulfonylbenzamide
  • N-(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)-3-morpholinosulfonyl-benzamide
  • N-(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)-3-morpholinosulfonylbenzamide
  • N-(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)-3-morpholin-4-ylsulfonyl-benzamide
  • ZINC00827252
  • Oprea1_684366
  • Oprea1_490768
  • BAS 00729852

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0018 0.0078 0.003
Loa Loa (eye worm) hypothetical protein 0.0062 0.0732 0.158
Brugia malayi Hsp90 protein 0.0046 0.0499 0.1041
Trypanosoma cruzi polo-like protein kinase, putative 0.0198 0.274 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0018 0.0078 0.0068
Loa Loa (eye worm) hypothetical protein 0.0053 0.0607 0.1292
Giardia lamblia Kinase, PLK 0.0198 0.274 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0037 0.0368 0.0321
Echinococcus granulosus chromobox protein 1 0.0067 0.0812 0.0767
Toxoplasma gondii NADPH-glutathione reductase 0.0067 0.0802 0.1654
Entamoeba histolytica hypothetical protein 0.007 0.085 0.3103
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0212 0.0484
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0058 0.0678 0.0864
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0018 0.0078 0.0179
Plasmodium falciparum endoplasmin, putative 0.0045 0.0484 0.0895
Brugia malayi MH2 domain containing protein 0.0017 0.0069 0.0046
Trypanosoma cruzi heat shock protein 90, putative 0.0057 0.0664 0.2422
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1143 0.1099
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0732 0.2671
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0018 0.0078 0.0285
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0417 0.1273
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0018 0.0078 0.0179
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Plasmodium vivax heat shock protein 86, putative 0.0057 0.0664 0.1347
Schistosoma mansoni endoplasmin 0.0057 0.0664 0.0618
Onchocerca volvulus 0.017 0.2335 0.8478
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0275 0.0434
Onchocerca volvulus Serine\/threonine kinase homolog 0.0198 0.274 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.0802 0.2925
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0018 0.0078 0.0179
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0275 0.0523
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0018 0.0078 0.0285
Leishmania major trypanothione reductase 0.0192 0.2658 0.9702
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0275 0.0227
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0037 0.0368 0.0739
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0018 0.0078 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0375 0.0857
Schistosoma mansoni smad1 5 8 and 0.0017 0.0069 0.002
Brugia malayi hypothetical protein 0.007 0.085 0.1854
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0375 0.1114
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0104 0.1359 0.303
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.274 0.6267
Trypanosoma brucei NADH dehydrogenase 0.0018 0.0078 0.0285
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0037 0.0368 0.1343
Plasmodium falciparum glutathione reductase 0.0067 0.0802 0.1595
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0018 0.0078 0.0071
Echinococcus granulosus glutamate synthase 0.0018 0.0078 0.003
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0018 0.0078 0.0285
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0275 0.1003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.085 0.0806
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.055 0.1159
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0487 0.7022 1
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0607 0.123
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0046 0.0499 0.1821
Trypanosoma brucei unspecified product 0.0026 0.0197 0.0719
Entamoeba histolytica hypothetical protein 0.007 0.085 0.3103
Trichomonas vaginalis heat shock protein, putative 0.0058 0.0678 0.1552
Entamoeba histolytica disulphide oxidoreductase, putative 0.0018 0.0078 0.0285
Trypanosoma cruzi heat shock protein 85, putative 0.0057 0.0664 0.2422
Leishmania major hypothetical protein, conserved 0.0018 0.0078 0.0285
Plasmodium falciparum thioredoxin reductase 0.0192 0.2658 0.5689
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0018 0.0078 0.0071
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0438 0.6299 0.8958
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.1143 0.253
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.016 0.0365
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0018 0.0078 0.0285
Loa Loa (eye worm) MH2 domain-containing protein 0.025 0.3512 0.8009
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0368 0.1343
Schistosoma mansoni disulfide oxidoreductase 0.0018 0.0078 0.003
Echinococcus multilocularis thioredoxin glutathione reductase 0.0192 0.2658 0.2622
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0607 0.1167
Echinococcus granulosus heat shock protein 0.0057 0.0664 0.0618
Trypanosoma cruzi trypanothione reductase, putative 0.0192 0.2658 0.9702
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0067 0.0802 0.2925
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0375 0.0857
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.016 0.0365
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0078 0.0285
Schistosoma mansoni heat shock protein 0.0046 0.0499 0.0452
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0018 0.0078 0.003
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.0732 0.158
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0067 0.0802 1
Plasmodium falciparum heat shock protein 90, putative 0.0324 0.4613 1
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.0802 0.2925
Trypanosoma cruzi heat shock protein 85, putative 0.0057 0.0664 0.2422
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0018 0.0078 0.0285
Echinococcus multilocularis Smad4 0.0017 0.0069 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0018 0.0078 0.003
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0067 0.0802 0.1654
Trypanosoma brucei trypanothione reductase 0.0192 0.2658 0.9702
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0018 0.0078 0.0285
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0487 0.7022 1
Schistosoma mansoni smad 0.0017 0.0069 0.002
Trichomonas vaginalis glutaminase, putative 0.0308 0.4372 1
Entamoeba histolytica heat shock protein 90, putative 0.0057 0.0664 0.2422
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0197 0.0719
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Echinococcus granulosus dna polymerase eta 0.0062 0.0732 0.0687
Echinococcus granulosus thioredoxin glutathione reductase 0.0192 0.2658 0.2622
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0812 0.1765
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0275 0.1003
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0046 0.0499 0.1581
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.0368 0.0675
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0067 0.0802 0.1649
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0018 0.0078 0.0179
Schistosoma mansoni hypothetical protein 0.0018 0.0078 0.003
Brugia malayi Endoplasmin precursor 0.0057 0.0664 0.1422
Schistosoma mansoni hypothetical protein 0.0689 1 1
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0484 0.1107
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0067 0.0802 0.2925
Loa Loa (eye worm) hypothetical protein 0.003 0.0254 0.0475
Plasmodium vivax heat shock protein 90, putative 0.0046 0.0499 0.0986
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0275 0.0501
Trypanosoma brucei heat shock protein 84, putative 0.0046 0.0499 0.1821
Schistosoma mansoni glutaminase 0.0308 0.4372 0.4345
Echinococcus multilocularis smad 0.0017 0.0069 0.002
Entamoeba histolytica serine/threonine protein kinase, putative 0.0198 0.274 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0067 0.0802 0.2925
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0812 0.1857
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0067 0.0802 0.1685
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Brugia malayi glutaminase DH11.1 0.0308 0.4372 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0037 0.0368 0.1343
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0018 0.0078 0.003
Brugia malayi glutamate synthase 0.0018 0.0078 0.0068
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0069 0.0046
Loa Loa (eye worm) heat shock protein 90 0.0057 0.0664 0.1422
Leishmania major heat shock protein, putative 0.0046 0.0499 0.1821
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.016 0.0257
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Echinococcus granulosus smad 0.0017 0.0069 0.002
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0417 0.0954
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.0802 0.2925
Leishmania major DNA polymerase eta, putative 0.0036 0.0352 0.1284
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0069 0.002
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0069 0.002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1264 0.2891
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0078 0.0285
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0088 0.0039
Loa Loa (eye worm) hypothetical protein 0.0117 0.1543 0.3456
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0037 0.0368 0.0321
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0607 0.2217
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0275 0.1003
Trichomonas vaginalis heat shock protein, putative 0.0039 0.039 0.0891
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.274 0.6267
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Toxoplasma gondii selenide, water dikinase 0.0018 0.0078 0.0071
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Schistosoma mansoni chromobox protein 0.0067 0.0812 0.0767
Plasmodium vivax endoplasmin, putative 0.0057 0.0664 0.1347
Trypanosoma brucei polo-like protein kinase 0.0198 0.274 1
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0018 0.0078 0.0285
Schistosoma mansoni endoplasmin 0.0057 0.0664 0.0618
Toxoplasma gondii heat shock protein HSP90 0.0057 0.0664 0.1353
Plasmodium falciparum heat shock protein 90 0.0057 0.0664 0.1291
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0368 0.1343
Echinococcus granulosus chromobox protein 1 0.0067 0.0812 0.0767
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0069 0.002
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0018 0.0078 0.0285
Toxoplasma gondii heat shock protein 90, putative 0.0057 0.0664 0.1353
Echinococcus multilocularis geminin 0.0689 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0067 0.0802 0.1595
Onchocerca volvulus 0.003 0.0254 0.0661
Schistosoma mansoni heat shock protein 0.0057 0.0664 0.0618
Schistosoma mansoni sulfide quinone reductase 0.0018 0.0078 0.003
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Echinococcus multilocularis transcription factor eb 0.0104 0.1359 0.1316
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0049 0.054 0.1137
Trypanosoma cruzi NADH dehydrogenase, putative 0.0018 0.0078 0.0285
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0607 0.1224
Trichomonas vaginalis mercuric reductase, putative 0.0067 0.0802 0.1833
Echinococcus multilocularis chromobox protein 1 0.0067 0.0812 0.0767
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0198 0.274 0.6225
Schistosoma mansoni serine/threonine protein kinase 0.0198 0.274 0.2705
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0118 0.0088
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0037 0.0368 0.0418
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0197 0.0719
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.1143 0.253
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.085 0.0806
Leishmania major DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Loa Loa (eye worm) hypothetical protein 0.017 0.2335 0.5288
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1143 0.1099
Echinococcus multilocularis chromobox protein 1 0.0067 0.0812 0.0767
Mycobacterium tuberculosis Conserved hypothetical protein 0.0037 0.0368 0.0418
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0067 0.0802 0.2925
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0067 0.0802 0.1042
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0352 0.067
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.274 0.6267
Loa Loa (eye worm) RecQ helicase 0.0023 0.016 0.0257
Brugia malayi isocitrate dehydrogenase 0.0031 0.0275 0.0523
Treponema pallidum NADH oxidase 0.0067 0.0802 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0067 0.0802 0.0756
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.0802 0.2925
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0069 0.0046
Schistosoma mansoni smad1 5 8 and 0.0017 0.0069 0.002
Brugia malayi chromobox protein homolog 3 0.0038 0.0375 0.0754
Brugia malayi Smad1 0.0017 0.0069 0.0046
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Echinococcus multilocularis endoplasmin 0.0058 0.0678 0.0633
Entamoeba histolytica thioredoxin reductase, putative 0.0018 0.0078 0.0285
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0018 0.0078 0.0285
Loa Loa (eye worm) glutaminase 0.0308 0.4372 1
Mycobacterium ulcerans heat shock protein 90 0.0058 0.0678 0.1398
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0051 0.0569 0.0523
Brugia malayi MH2 domain containing protein 0.0017 0.0069 0.0046
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0438 0.6299 0.8958
Brugia malayi serine/threonine-protein kinase plk-2 0.0198 0.274 0.6225
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1143 0.1099
Schistosoma mansoni heat shock protein 0.0057 0.0664 0.0618
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0018 0.0078 0.0179
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0275 0.0495
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Mycobacterium tuberculosis Probable reductase 0.0438 0.6299 0.8958
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0275 0.0227
Trichomonas vaginalis heat shock protein, putative 0.0057 0.0664 0.1518
Plasmodium vivax thioredoxin reductase, putative 0.0192 0.2658 0.5717
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Echinococcus multilocularis heat shock protein 90 0.0057 0.0664 0.0618
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0607 0.2217
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1143 0.1099
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0487 0.7022 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0069 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1143 0.1099
Trypanosoma brucei unspecified product 0.0037 0.0368 0.1343
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0018 0.0078 0.0071
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.0802 0.2925
Echinococcus granulosus heat shock protein 90 0.0057 0.0664 0.0618
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0018 0.0078 0.003
Loa Loa (eye worm) glutathione reductase 0.0192 0.2658 0.6036
Brugia malayi Thioredoxin reductase 0.0192 0.2658 0.6036
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.0802 1
Schistosoma mansoni sulfide quinone reductase 0.0018 0.0078 0.003
Trypanosoma cruzi heat shock protein 85, putative 0.0057 0.0664 0.2422
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0067 0.0802 0.0756
Trichomonas vaginalis glutathione reductase, putative 0.0067 0.0802 0.1833
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0607 0.2217
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0275 0.0227
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0018 0.0078 0.0285
Trichomonas vaginalis endoplasmin, putative 0.0045 0.0484 0.1107
Schistosoma mansoni chromobox protein 0.0067 0.0812 0.0767
Echinococcus multilocularis glutamate synthase 0.0018 0.0078 0.003
Entamoeba histolytica hypothetical protein 0.007 0.085 0.3103
Echinococcus multilocularis dna polymerase kappa 0.0037 0.0368 0.0321
Trichomonas vaginalis glutamate synthase, putative 0.0018 0.0078 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0212 0.0484
Trichomonas vaginalis heat shock protein, putative 0.0058 0.0678 0.1552
Treponema pallidum heat shock protein 90 0.0058 0.0678 0.8298
Echinococcus multilocularis bloom syndrome protein 0.0023 0.016 0.0112
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0438 0.6299 0.8958
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0812 0.1857
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0275 0.1003
Brugia malayi heat shock protein 90 0.0057 0.0664 0.1422
Trichomonas vaginalis DNA polymerase eta, putative 0.0037 0.0368 0.0842
Echinococcus granulosus Smad4 0.0017 0.0069 0.002
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0018 0.0078 0.0179
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0275 0.0501
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Schistosoma mansoni DNA polymerase eta 0.0062 0.0732 0.0687
Schistosoma mansoni glutamate synthase 0.0018 0.0078 0.003
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0018 0.0078 0.0285
Echinococcus multilocularis heat shock protein 90 0.0051 0.0569 0.0523
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.274 0.6267
Loa Loa (eye worm) hypothetical protein 0.0104 0.1351 0.3012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1143 0.1099
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0018 0.0078 0.0179
Trypanosoma cruzi heat shock protein 90, putative 0.0051 0.0569 0.2077
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0046 0.0499 0.0452
Giardia lamblia DINP protein human, muc B family 0.0037 0.0368 0.1089
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0018 0.0078 0.003
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0198 0.274 0.2705
Mycobacterium tuberculosis Probable dehydrogenase 0.0438 0.6299 0.8958
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.0368 0.0675
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0067 0.0802 0.1685
Loa Loa (eye worm) glutaminase 2 0.0308 0.4372 1
Schistosoma mansoni Smad4 0.0017 0.0069 0.002
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0018 0.0078 0.003
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0067 0.0802 0.1741
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0438 0.6299 0.8958
Trypanosoma cruzi Heat shock protein 83, putative 0.0057 0.0664 0.2422
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0275 0.0283
Schistosoma mansoni kinase 0.01 0.1303 0.126
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.274 0.6267
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0352 0.1284
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0018 0.0078 0.0071
Schistosoma mansoni terminal deoxycytidyl transferase 0.0037 0.0368 0.0321
Trichomonas vaginalis apoptosis inducing factor, putative 0.0018 0.0078 0.0179
Schistosoma mansoni hypothetical protein 0.0024 0.0171 0.0123
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0018 0.0078 0.0179
Brugia malayi MH2 domain containing protein 0.025 0.3512 0.8009
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.055 0.1159
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0018 0.0078 0.0071
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0018 0.0078 0.0285
Giardia lamblia Heat shock protein HSP 90-alpha 0.0051 0.0569 0.1844
Trypanosoma brucei unspecified product 0.0026 0.0197 0.0719
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0058 0.0678 0.0864
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0018 0.0078 0.0068
Plasmodium falciparum heat shock protein 90, putative 0.0039 0.039 0.0687
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0368 0.1343
Schistosoma mansoni hypothetical protein 0.0034 0.0318 0.027
Loa Loa (eye worm) endoplasmin 0.0057 0.0664 0.1422
Trypanosoma brucei Heat shock protein 83, putative 0.0057 0.0664 0.2422
Leishmania major DNA polymerase eta, putative 0.0062 0.0732 0.2671
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Echinococcus granulosus transcription factor eb 0.0104 0.1359 0.1316
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0018 0.0078 0.003
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0018 0.0078 0.0285
Loa Loa (eye worm) thioredoxin reductase 0.0192 0.2658 0.6036
Schistosoma mansoni glutamate synthase 0.0018 0.0078 0.003
Toxoplasma gondii Hsp90 domain-containing protein 0.0324 0.4613 1
Trypanosoma cruzi heat shock protein, putative 0.0046 0.0499 0.1821
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1143 0.1099
Leishmania major hypothetical protein, conserved 0.0018 0.0078 0.0285
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0318 0.0623
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0018 0.0078 0.003
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0018 0.0078 0.0068
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0018 0.0078 0.003
Brugia malayi MH1 domain containing protein 0.0017 0.0069 0.0046
Trichomonas vaginalis glutamate synthase, putative 0.0018 0.0078 0.0179
Schistosoma mansoni hypothetical protein 0.0689 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0192 0.2658 0.3716
Brugia malayi hypothetical protein 0.0053 0.0607 0.1292
Entamoeba histolytica heat shock protein 90, putative 0.0057 0.0664 0.2422
Schistosoma mansoni transcription factor LCR-F1 0.007 0.085 0.0806
Brugia malayi Heterochromatin protein 1 0.0067 0.0812 0.1765
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0569 0.1302
Plasmodium vivax glutathione reductase, putative 0.0192 0.2658 0.5717
Plasmodium falciparum thioredoxin reductase 0.0067 0.0802 0.1595
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0018 0.0078 0.0179
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0078 0.0285
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0197 0.0719
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0275 0.0227
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0067 0.0802 0.1595
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0198 0.274 0.2705
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0018 0.0078 0.003
Loa Loa (eye worm) programmed cell death 8 0.0018 0.0078 0.0068
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0569 0.2077
Trypanosoma cruzi polo-like protein kinase, putative 0.0198 0.274 1
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0058 0.0678 0.2476
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0275 0.0227
Echinococcus granulosus heat shock protein 90 0.0051 0.0569 0.0523
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0275 0.1003
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.055 0.1159
Leishmania major hypothetical protein, conserved 0.0018 0.0078 0.0285
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0018 0.0078 0.0065
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0275 0.0523
Trypanosoma brucei DNA polymerase eta, putative 0.0062 0.0732 0.2671
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0067 0.0802 0.1685
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0069 0.002
Toxoplasma gondii heat shock protein 75, putative 0.0046 0.0499 0.0992
Schistosoma mansoni glutamate synthase 0.0018 0.0078 0.003
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0067 0.0802 0.1649
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Brugia malayi hypothetical protein 0.017 0.2335 0.5288
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Schistosoma mansoni hypothetical protein 0.007 0.085 0.0806
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1264 0.2891
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0275 0.0227
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0171 0.0123
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Loa Loa (eye worm) hypothetical protein 0.005 0.055 0.1159
Giardia lamblia NADH oxidase lateral transfer candidate 0.0067 0.0802 0.2717
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0018 0.0078 0.003
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0171 0.0123
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0037 0.0368 0.0321
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.274 0.6267
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0018 0.0078 0.0285
Trypanosoma brucei heat shock protein, putative 0.0057 0.0664 0.2422
Brugia malayi ImpB/MucB/SamB family protein 0.0037 0.0368 0.0739
Plasmodium vivax heat shock protein, putative 0.0324 0.4613 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0018 0.0078 0.0285
Trypanosoma cruzi NADH dehydrogenase, putative 0.0018 0.0078 0.0285
Toxoplasma gondii thioredoxin reductase 0.0192 0.2658 0.572
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.0802 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0104 0.1351 0.3012
Loa Loa (eye worm) heat shock protein 75 0.0046 0.0499 0.1041
Echinococcus granulosus dna polymerase kappa 0.0037 0.0368 0.0321
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0058 0.0678 0.8298
Giardia lamblia Heat shock protein HSP 90-alpha 0.0057 0.0664 0.2199
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0198 0.274 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0438 0.6299 0.8958
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Giardia lamblia Grp94/Hsp90 0.0058 0.0678 0.2255
Mycobacterium tuberculosis Probable oxidoreductase 0.0487 0.7022 1
Mycobacterium ulcerans glutaminase 0.0308 0.4372 1
Brugia malayi MH1 domain containing protein 0.0017 0.0069 0.0046
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0607 0.1167
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0018 0.0078 0.0179
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0091 0.0332
Brugia malayi hypothetical protein 0.0035 0.0327 0.0644
Plasmodium falciparum glutathione reductase 0.0192 0.2658 0.5689
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0037 0.0368 0.0842
Echinococcus multilocularis dna polymerase eta 0.0062 0.0732 0.0687
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0067 0.0802 0.0756
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0069 0.002
Echinococcus granulosus bloom syndrome protein 0.0023 0.016 0.0112
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0417 0.0954
Loa Loa (eye worm) hypothetical protein 0.0038 0.0375 0.0754
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0368 0.1343
Trypanosoma brucei heat shock protein 90, putative 0.0057 0.0664 0.2422
Trypanosoma brucei heat shock protein 90, putative 0.0057 0.0664 0.2422
Echinococcus multilocularis heat shock protein 0.0057 0.0664 0.0618
Plasmodium vivax ferrodoxin reductase, putative 0.0018 0.0078 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.274 0.6267
Loa Loa (eye worm) Smad1 0.0017 0.0069 0.0046
Loa Loa (eye worm) transcription factor SMAD2 0.025 0.3512 0.8009
Leishmania major heat shock protein 83-1 0.0057 0.0664 0.2422
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0018 0.0078 0.0285
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0275 0.0227
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0049 0.054 0.1137
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0802 0.2925
Loa Loa (eye worm) hypothetical protein 0.0034 0.0318 0.0623
Loa Loa (eye worm) hypothetical protein 0.0018 0.0078 0.0068
Echinococcus granulosus endoplasmin 0.0058 0.0678 0.0633
Brugia malayi glutathione reductase 0.0192 0.2658 0.6036
Leishmania major hypothetical protein, conserved 0.0053 0.0607 0.2217
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0018 0.0078 0.0068
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0046 0.0499 0.0452
Leishmania major NADH dehydrogenase, putative 0.0018 0.0078 0.0285
Entamoeba histolytica hypothetical protein 0.007 0.085 0.3103

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae. ChEMBL. 14684340
IC50 (binding) > 100 uM Inhibition of Streptococcus pneumoniae MurF ChEMBL. 17988876
IC50 (binding) > 100 uM Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae. ChEMBL. 14684340
IC50 (binding) > 100 uM Inhibition of Streptococcus pneumoniae MurF ChEMBL. 17988876

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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