Detailed information for compound 1027881

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.256 | Formula: C20H16BrFN2O2
  • H donors: 2 H acceptors: 2 LogP: 4.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(c(c1)CN(c1ccccc1F)C(=O)Nc1ccccc1)O
  • InChi: 1S/C20H16BrFN2O2/c21-15-10-11-19(25)14(12-15)13-24(18-9-5-4-8-17(18)22)20(26)23-16-6-2-1-3-7-16/h1-12,25H,13H2,(H,23,26)
  • InChiKey: IVPSFAAKNGILAC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli 3-oxoacyl-[acyl-carrier-protein] synthase III Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis oxoacyl-ACP synthase III Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium knowlesi beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium ulcerans 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
Neospora caninum 3-oxoacyl-(acyl-carrier-protein) synthase III family protein, putative Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium ulcerans 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium ulcerans beta-ketoacyl synthase-like protein Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium falciparum beta-ketoacyl-ACP synthase III Get druggable targets OG5_129509 All targets in OG5_129509
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium berghei apicoplast beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Conserved hypothetical protein 3-oxoacyl-[acyl-carrier-protein] synthase III 317 aa 265 aa 26.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.02 0.0454
Loa Loa (eye worm) hypothetical protein 0.0055 0.0549 0.3211
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0402 0.0473
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0027 0.0157
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0067 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Schistosoma mansoni nuclear receptor 0.001 0.0027 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0163 0.0192
Leishmania major DNA polymerase kappa, putative 0.0013 0.0059 0.0886
Leishmania major DNA damage repair protein, putative 0.0013 0.0059 0.0886
Loa Loa (eye worm) hypothetical protein 0.0025 0.02 0.117
Echinococcus multilocularis expressed conserved protein 0.0098 0.1056 0.1056
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0734
Brugia malayi AMP-binding enzyme family protein 0.0025 0.02 0.117
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0376 0.6963
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0668 0.1399
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0392 0.0888
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0734
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.02 0.0324
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0027 0.0032
Leishmania major DNA polymerase eta, putative 0.0013 0.0059 0.0886
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0376 0.0443
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0402 0.0402
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Brugia malayi AMP-binding enzyme family protein 0.0025 0.02 0.117
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0402 0.2349
Brugia malayi tailless protein 0.001 0.0027 0.0157
Loa Loa (eye worm) Smad1 0.0009 0.0007 0.0043
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0241 0.1407
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0539 0.0635
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0059 0.1098
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0431 0.0431
Entamoeba histolytica fatty acid elongase, putative 0.005 0.049 0.4337
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0163 0.0954
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.02 0.177
Schistosoma mansoni hypothetical protein 0.0043 0.0412 0.0485
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0163 0.0192
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0163 0.0192
Trypanosoma brucei chrX additional, unordered contigs 0.0013 0.0059 0.1098
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0059 0.1098
Brugia malayi nuclear receptor RXR 0.001 0.0027 0.0157
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0668 0.0787
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0163 0.0954
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0376 0.3321
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0163 0.0954
Echinococcus granulosus geminin 0.0179 0.2015 0.2371
Trypanosoma brucei hypothetical protein, conserved 0.0013 0.0059 0.1098
Brugia malayi MAP kinase sur-1 0.0054 0.0539 0.3153
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Brugia malayi nuclear hormone receptor 0.0022 0.0163 0.0954
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.02 0.177
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0392 0.3465
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0539 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0389 0.5817
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0383 0.4412 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0668 0.1399
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0338 1
Schistosoma mansoni hypothetical protein 0.0179 0.2015 0.2371
Echinococcus granulosus neuropeptide s receptor 0.0476 0.5507 0.6482
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0241 0.1407
Loa Loa (eye worm) hypothetical protein 0.0013 0.0061 0.0356
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0163 0.0192
Trypanosoma brucei unspecified product 0.0029 0.0248 0.4592
Leishmania major pantothenate kinase subunit, putative 0.0009 0.0012 0.018
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0027 0.0032
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0539 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0007 0.0009
Leishmania major DNA polymerase eta, putative 0.0042 0.0402 0.6014
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0402 0.0787
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0059 0.1098
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0389 0.0033
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0163 0.0954
Brugia malayi hypothetical protein 0.004 0.0376 0.2199
Schistosoma mansoni DNA polymerase IV / kappa 0.0013 0.0059 0.007
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0376 0.6963
Loa Loa (eye worm) hypothetical protein 0.0104 0.1131 0.6609
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.166 0.1954
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0376 0.0376
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0126 0.0285
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.02 0.0324
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0013 0.0059 0.0886
Trypanosoma brucei DNA damage repair protein, putative 0.0013 0.0059 0.1098
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0389 0.3438
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0163 0.0954
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0163 0.0954
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0027 0.0157
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0431 0.0507
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0013 0.0059 0.0886
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0539 1
Schistosoma mansoni lamin 0.0029 0.0241 0.0283
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Brugia malayi Smad1 0.0009 0.0007 0.0043
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0163 0.0192
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.048 0.0565
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0539 0.8071
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0376 0.0442
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0027 0.0032
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0539 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0402 0.7451
Schistosoma mansoni zinc finger protein 0.001 0.0027 0.0032
Schistosoma mansoni hypothetical protein 0.0043 0.0412 0.0485
Echinococcus multilocularis musashi 0.0029 0.0241 0.0241
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Echinococcus multilocularis lamin 0.0029 0.0241 0.0241
Schistosoma mansoni hypothetical protein 0.0043 0.0412 0.0485
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0734
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.0402 0.0911
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0163 0.0954
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0163 0.0192
Schistosoma mansoni nuclear hormone receptor 0.001 0.0027 0.0032
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0059 0.1098
Echinococcus multilocularis protein patched 0.0045 0.0431 0.0431
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0383 0.4412 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0013 0.0059 0.1098
Brugia malayi CHE-14 protein 0.0045 0.0431 0.2519
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0114 0.0257
Schistosoma mansoni inositol monophosphatase 0.0041 0.0389 0.0458
Schistosoma mansoni inositol monophosphatase 0.0041 0.0389 0.0458
Echinococcus granulosus lamin dm0 0.0029 0.0241 0.0283
Echinococcus granulosus Smad4 0.0009 0.0007 0.0009
Brugia malayi steroid hormone receptor 0.0022 0.0163 0.0954
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0009 0.0012 0.0223
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0163 0.0163
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0376 0.2195
Schistosoma mansoni coup transcription factor 0.0022 0.0163 0.0192
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0376 0.6963
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0163 0.0192
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0402 0.7451
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.048 0.2806
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0436 0.8084
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0242
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0242
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0668 0.0787
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0539 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.02 0.0454
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0163 0.0954
Brugia malayi Nuclear hormone receptor E75 0.001 0.0027 0.0157
Loa Loa (eye worm) hypothetical protein 0.0025 0.02 0.117
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0163 0.0954
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0027 0.0032
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0163 0.0163
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0668 0.1514
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.4412 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0163 0.0192
Loa Loa (eye worm) acetyltransferase 0.0153 0.1711 1
Schistosoma mansoni Smad4 0.0009 0.0007 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Trypanosoma brucei unspecified product 0.0042 0.0402 0.7451
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0383 0.4412 1
Trypanosoma brucei unspecified product 0.0029 0.0248 0.4592
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0734
Echinococcus multilocularis protein dispatched 1 0.0051 0.0505 0.0505
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0027 0.0032
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0163 0.0954
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0163 0.0954
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0013 0.0061 0.0356
Loa Loa (eye worm) hypothetical protein 0.0025 0.02 0.117
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0013 0.0059 0.0886
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0027 0.1113
Echinococcus granulosus Niemann Pick C1 protein 0.0149 0.1657 0.195
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.02 0.177
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0085 0.0496
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0163 0.0954
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0389 0.7207
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0163 0.0954
Onchocerca volvulus 0.001 0.0027 0.1113
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0027 0.0027
Schistosoma mansoni intermediate filament proteins 0.0029 0.0241 0.0283
Brugia malayi nuclear receptor NHR-88 0.0022 0.0163 0.0954
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0242
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0539 0.8071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0027 0.0027
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0668 0.1399
Schistosoma mansoni lamin 0.0029 0.0241 0.0283
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0402 0.0911
Toxoplasma gondii exonuclease III APE 0.004 0.0376 0.562
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.02 0.0324
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0242
Schistosoma mansoni hypothetical protein 0.0179 0.2015 0.2371
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0163 0.0954
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.048 0.048
Plasmodium vivax DNA repair protein REV1, putative 0.0013 0.0059 0.0134
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0007 0.0009
Brugia malayi nuclear receptor RXR 0.0012 0.0041 0.0242
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0041 0.0242
Brugia malayi nuclear receptor NHR-67 0.001 0.0027 0.0157
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0539 0.0539
Loa Loa (eye worm) hypothetical protein 0.0028 0.0235 0.1371
Echinococcus granulosus microtubule associated protein 2 0.073 0.8496 1
Schistosoma mansoni patched 1 0.0045 0.0431 0.0507
Onchocerca volvulus 0.0029 0.0241 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0376 0.0851
Echinococcus granulosus dna polymerase eta 0.0042 0.0402 0.0473
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0163 0.0163
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0163 0.0192
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0007 0.0043
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0402 0.3554
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.0402 0.7451
Brugia malayi MH2 domain containing protein 0.0009 0.0007 0.0043
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0163 0.0192
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0163 0.0192
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0163 0.0954
Schistosoma mansoni microtubule-associated protein tau 0.073 0.8496 1
Schistosoma mansoni DNA polymerase eta 0.0042 0.0402 0.0473
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0248 0.4592
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.02 0.0324
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0114 0.0257
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0041 0.0242
Brugia malayi nuclear hormone receptor 0.001 0.0027 0.0157
Echinococcus multilocularis geminin 0.0179 0.2015 0.2015
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0126 0.0285
Mycobacterium ulcerans hypothetical protein 0.0025 0.02 0.0324
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0402 0.7451
Brugia malayi MH1 domain containing protein 0.0009 0.0007 0.0043
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.1131 0.1331
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0163 0.0192
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0027 0.0032
Brugia malayi Nuclear hormone receptor E75 0.001 0.0027 0.0157
Echinococcus granulosus smad 0.0009 0.0007 0.0009
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0376 0.0851
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.1711 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0241 0.1407
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.02 0.2995
Giardia lamblia DNA damage repair protein 0.0013 0.0059 0.1098
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0163 0.0192
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0402 0.6014
Brugia malayi ecdysteroid receptor 0.0022 0.0163 0.0954
Schistosoma mansoni smad 0.0009 0.0007 0.0009
Echinococcus multilocularis Smad4 0.0009 0.0007 0.0007
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0007 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0163 0.0954
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0376 0.6963
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0242
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0539 0.3153
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0163 0.0163
Entamoeba histolytica fatty acid elongase, putative 0.005 0.049 0.4337
Brugia malayi hypothetical protein 0.001 0.0027 0.0157
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0163 0.0192
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.02 0.2995
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0376 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0007 0.0009
Brugia malayi MH2 domain containing protein 0.0128 0.1406 0.8218
Schistosoma mansoni ap endonuclease 0.004 0.0376 0.0442
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Schistosoma mansoni nuclear hormone receptor 0.001 0.0027 0.0032
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0402 0.0473
Entamoeba histolytica hypothetical protein 0.004 0.0376 0.3327
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.1131 0.1131
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0376 0.0376
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0389 0.0458
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0163 0.0163
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0376 0.0443
Brugia malayi nuclear receptor NHR-88 0.001 0.0027 0.0157
Entamoeba histolytica hypothetical protein 0.004 0.0376 0.3327
Brugia malayi ecdysone receptor 0.001 0.0027 0.0157
Brugia malayi MH2 domain containing protein 0.0009 0.0007 0.0043
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0007 0.0043
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0436 0.0988
Schistosoma mansoni ap endonuclease 0.004 0.0376 0.0442
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0041 0.0049
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0539 0.0539
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0376 0.0727
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0402 0.2349
Schistosoma mansoni hypothetical protein 0.004 0.0376 0.0443
Echinococcus multilocularis microtubule associated protein 2 0.073 0.8496 0.8496
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0114 0.0257
Brugia malayi Niemann-Pick C1 protein precursor 0.0104 0.1131 0.6609
Trypanosoma brucei DNA polymerase eta, putative 0.0042 0.0402 0.7451
Echinococcus granulosus expressed conserved protein 0.0098 0.1056 0.1243
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.02 0.2995
Echinococcus granulosus intermediate filament protein 0.0029 0.0241 0.0283
Loa Loa (eye worm) hypothetical protein 0.0042 0.0402 0.2349
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.048 0.0565
Loa Loa (eye worm) hypothetical protein 0.0014 0.0067 0.0392
Loa Loa (eye worm) hypothetical protein 0.0013 0.0059 0.0346
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0163 0.0163
Leishmania major DNA polymerase kappa, putative 0.0042 0.0402 0.6014
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0163 0.0192
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.048 0.2806
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0539 0.8071
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0163 0.6778
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.048 0.048
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.1406 0.8218
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0163 0.0192
Trypanosoma cruzi DNA damage repair protein, putative 0.0013 0.0059 0.1098
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0402 0.7451
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0402 0.7451
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0436 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0431 0.7991
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0734
Brugia malayi MH1 domain containing protein 0.0009 0.0007 0.0043
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0163 0.0192
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0163 0.0954
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0389 0.7207
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0389 0.7207
Schistosoma mansoni smad1 5 8 and 0.0009 0.0007 0.0009
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0027 0.0032
Onchocerca volvulus 0.0025 0.02 0.8315
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0389 0.0389
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.1711 0.1711
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0027 0.1113
Entamoeba histolytica fatty acid elongase, putative 0.005 0.049 0.4337
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0376 0.2195
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0389 0.5817
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0383 0.4412 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0007 0.0009
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.1406 0.8218
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0163 0.0192
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.4412 1
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0163 0.0163
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0027 0.0157
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0376 0.0851
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0376 0.6963
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0402 0.7451
Echinococcus multilocularis neuropeptide s receptor 0.0476 0.5507 0.5507
Brugia malayi AMP-binding enzyme family protein 0.0025 0.02 0.117
Entamoeba histolytica fatty acid elongase, putative 0.005 0.049 0.4337
Onchocerca volvulus 0.0029 0.0241 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0539 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0163 0.6778
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0402 0.2349
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0668 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0041 0.0049
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0163 0.0163
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0436 0.8084
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.02 0.0324
Loa Loa (eye worm) DR-78 0.001 0.0027 0.0157
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0104 0.1131 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0027 0.0157
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0392 0.7264
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0436 0.6525
Schistosoma mansoni hypothetical protein 0.0043 0.0412 0.0485
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0085 0.0496
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0163 0.0954
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0027 0.0027
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0338 0.0766
Entamoeba histolytica hypothetical protein 0.004 0.0376 0.3327
Brugia malayi hypothetical protein 0.001 0.0027 0.0157
Giardia lamblia DINP protein human, muc B family 0.0042 0.0402 0.7451
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.048 0.0565
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0163 0.0192
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0389 0.0757
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0027 0.0032
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Trypanosoma brucei protein kinase, putative 0.0054 0.0539 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0126 0.0285
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0376 0.6963
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0007 0.0007
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0041 0.0041
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0114 0.0257
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.115 0.1353
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0027 0.0157
Echinococcus granulosus dna polymerase kappa 0.0042 0.0402 0.0473
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0027 0.0157
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0163 0.0954
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0126 0.0152
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0539 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0163 0.0954
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.048 0.0565
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0163 0.0954
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0163 0.6778
Loa Loa (eye worm) hypothetical protein 0.0045 0.0431 0.2519
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0539 0.0635
Brugia malayi hypothetical protein 0.0012 0.0041 0.0242
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0668 0.0787
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0027 0.0157
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Echinococcus granulosus neuropeptide receptor A26 0.0476 0.5507 0.6482
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0241 0.1407
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0163 0.0954
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0041 0.0049
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0431 0.0507
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.02 0.0324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.048 0.0565
Onchocerca volvulus 0.0022 0.0163 0.6778
Plasmodium falciparum DNA repair protein REV1, putative 0.0013 0.0059 0.0134
Brugia malayi conserved hypotetical protein 0.001 0.0027 0.0157
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0389 0.7207
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0539 0.0635
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0027 0.0027
Brugia malayi intermediate filament protein 0.0029 0.0241 0.1407
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0376 0.562
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0383 0.4412 1
Entamoeba histolytica fatty acid elongase, putative 0.005 0.049 0.4337
Brugia malayi polk-prov protein 0.0013 0.0059 0.0346
Brugia malayi Inositol-1 0.0041 0.0389 0.2272
Trypanosoma brucei DNA damage repair protein, putative 0.0013 0.0059 0.1098
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0163 0.0192
Echinococcus multilocularis Niemann Pick C1 protein 0.0149 0.1657 0.1657
Echinococcus multilocularis lamin dm0 0.0029 0.0241 0.0241
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0539 1
Trypanosoma brucei hypothetical protein, conserved 0.0013 0.0059 0.1098
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0668 1
Echinococcus multilocularis dna polymerase eta 0.0042 0.0402 0.0402
Trypanosoma cruzi DNA polymerase eta, putative 0.0013 0.0059 0.1098
Loa Loa (eye worm) hypothetical protein 0.0022 0.0163 0.0954
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0248 0.4592
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0041 0.0242
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0402 0.0473
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.02 0.0324
Brugia malayi hypothetical protein 0.0012 0.0041 0.0242
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0431 0.2519
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0383 0.4412 1
Entamoeba histolytica hypothetical protein 0.004 0.0376 0.3327
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0402 0.0787
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0389 0.7207
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0248 0.4592
Onchocerca volvulus 0.001 0.0027 0.1113
Echinococcus multilocularis smad 0.0009 0.0007 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0163 0.0954
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0027 0.0032
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0436 0.6525
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0163 0.0954
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0539 1
Echinococcus multilocularis neuropeptide receptor A26 0.0476 0.5507 0.5507
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0157
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.1711 0.2014
Schistosoma mansoni nuclear receptor 0.001 0.0027 0.0032
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0067 0.0067
Echinococcus granulosus lamin 0.0029 0.0241 0.0283
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0389 0.7207
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0539 1
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0163 0.0192
Loa Loa (eye worm) inositol-1 0.0041 0.0389 0.2272

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 37.4 uM Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by liquid scintillation ChEMBL. 21752655
Ki (binding) = 38.36 fM Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by liquid scintillation ChEMBL. 21752655
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Escherichia coli ATCC 35218 after 24 hrs by MTT assay ChEMBL. 21752655

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

1 literature reference was collected for this gene.

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