Detailed information for compound 1026640

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 510.606 | Formula: C20H15Br2ClN2O2
  • H donors: 2 H acceptors: 2 LogP: 5.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)N(C(=O)Nc1ccccc1)Cc1cc(Br)cc(c1O)Br
  • InChi: 1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)18(22)11-14)12-25(17-8-6-15(23)7-9-17)20(27)24-16-4-2-1-3-5-16/h1-11,26H,12H2,(H,24,27)
  • InChiKey: VRXZZEDQUFBOPK-UHFFFAOYSA-N  


Substructure search Similarity search

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
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
Plasmodium falciparum beta-ketoacyl-ACP synthase III 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 berghei apicoplast beta-ketoacyl-acyl carrier protein synthase III precursor, putative 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
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 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
Neospora caninum 3-oxoacyl-(acyl-carrier-protein) synthase III family protein, putative Get druggable targets OG5_129509 All targets in OG5_129509
Chlamydia trachomatis oxoacyl-ACP synthase 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
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
Echinococcus granulosus pyruvate kinase 0.002 0.0035 0.0047
Trichomonas vaginalis esterase, putative 0.0039 0.0205 0.14
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0052 0.0068
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.0798 0.105
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0205 0.14
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0262 0.0344
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0052 0.0285
Onchocerca volvulus 0.0039 0.0205 0.0154
Schistosoma mansoni hypothetical protein 0.0024 0.0076 0.01
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0383 0.32 0.549
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0205 0.0267
Echinococcus granulosus FTZ F1 alpha 0.0046 0.0262 0.0344
Schistosoma mansoni ap endonuclease 0.0022 0.0052 0.0069
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0204 0.1644 0.2775
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0074 0.0069
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0197 0.2415
Loa Loa (eye worm) hypothetical protein 0.0257 0.2101 0.2096
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0033 0.0028
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0423 0.0557
Schistosoma mansoni lamin 0.0094 0.0681 0.0896
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0006 0.0007
Brugia malayi hypothetical protein 0.0054 0.0336 0.0331
Loa Loa (eye worm) hypothetical protein 0.0044 0.0244 0.0239
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0069
Onchocerca volvulus 0.0039 0.0205 0.0154
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.32 0.549
Loa Loa (eye worm) hypothetical protein 0.0054 0.0336 0.0331
Echinococcus granulosus ecdysone induced protein 78C 0.0046 0.0262 0.0344
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0006 0.0007
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0336 0.1035
Giardia lamblia Pyruvate kinase 0.0038 0.0197 0.1457
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0423 0.0418
Schistosoma mansoni hypothetical protein 0.0052 0.0321 0.0422
Loa Loa (eye worm) hypothetical protein 0.0045 0.0259 0.0253
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0336 0.4173
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0383 0.32 1
Plasmodium vivax pyruvate kinase 2, putative 0.002 0.0035 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0046 0.0262 0.0256
Echinococcus granulosus thyroid hormone receptor alpha 0.0021 0.0052 0.0068
Brugia malayi hypothetical protein 0.0021 0.0052 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0046 0.0262 0.0256
Mycobacterium ulcerans lipase LipD 0.0039 0.0205 0.0267
Brugia malayi nuclear hormone receptor family member nhr-6 0.0021 0.0052 0.0046
Toxoplasma gondii exonuclease III APE 0.0022 0.0052 0.0285
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0205 0.14
Echinococcus multilocularis pyruvate kinase 0.002 0.0035 0.0047
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0046 0.0262 0.0211
Echinococcus multilocularis pyruvate kinase 0.0038 0.0197 0.0259
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0423 0.0557
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0069
Leishmania major hypothetical protein, conserved 0.0039 0.0205 0.1219
Leishmania major hypothetical protein, conserved 0.0054 0.0336 0.2019
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0298 0.2249
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0327 0.2513
Brugia malayi nuclear hormone receptor family member odr-7 0.0021 0.0052 0.0046
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0298 0.2249
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0046 0.0262 0.0256
Schistosoma mansoni pyruvate kinase 0.0038 0.0197 0.0259
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.2101 0.2762
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0107 0.0798 0.105
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Toxoplasma gondii pyruvate kinase PyKII 0.002 0.0035 0.0182
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0031 0.0025
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.068 0.5786 1
Schistosoma mansoni lamin 0.0094 0.0681 0.0896
Echinococcus granulosus cpg binding protein 0.0066 0.0439 0.0578
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0046 0.0262 0.0344
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0197 0.0146
Loa Loa (eye worm) hypothetical protein 0.0039 0.0205 0.02
Schistosoma mansoni microtubule-associated protein tau 0.0749 0.6389 0.8401
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0205 0.0267
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0197 0.1325
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.32 0.549
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0798 0.6826
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0046 0.0262 0.0256
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0798 0.6826
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0046 0.0262 0.0344
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0262 0.0256
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Brugia malayi beta-lactamase 0.0039 0.0205 0.02
Brugia malayi nuclear receptor RXR 0.0021 0.0052 0.0046
Loa Loa (eye worm) hypothetical protein 0.0039 0.0205 0.02
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0107 0.0798 0.105
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0052 0.0152
Onchocerca volvulus 0.0039 0.0205 0.0154
Brugia malayi nuclear receptor NHR-88 0.0046 0.0262 0.0256
Brugia malayi nuclear receptor NHR-67 0.0021 0.0052 0.0046
Brugia malayi photoreceptor-specific nuclear receptor 0.0046 0.0262 0.0256
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0045 0.0259 0.0341
Brugia malayi conserved hypotetical protein 0.0021 0.0052 0.0046
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.204 0.3466
Echinococcus granulosus lamin dm0 0.0094 0.0681 0.0896
Echinococcus granulosus pyruvate kinase 0.0038 0.0197 0.0259
Brugia malayi hypothetical protein 0.0021 0.0052 0.0046
Loa Loa (eye worm) hypothetical protein 0.0039 0.0205 0.02
Mycobacterium tuberculosis Conserved protein 0.0039 0.0205 0.0267
Echinococcus granulosus phd:f box containing protein 0.0016 0.0006 0.0007
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0052 0.0589
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0205 0.252
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0052 0.0068
Echinococcus multilocularis microtubule associated protein 2 0.0749 0.6389 0.8401
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0205 0.0267
Entamoeba histolytica hypothetical protein 0.0039 0.0205 0.1398
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0046 0.0262 0.0344
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0046 0.0262 0.0344
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0046 0.0262 0.0344
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0327 0.2513
Toxoplasma gondii histone lysine methyltransferase SET1 0.0118 0.0895 0.5427
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0262 0.0256
Loa Loa (eye worm) DR-78 0.0021 0.0052 0.0046
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0094 0.0681 0.0676
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.0798 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0262 0.0344
Loa Loa (eye worm) hypothetical protein 0.0044 0.0244 0.0239
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0021 0.0052 0.0068
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.1054 0.1049
Echinococcus multilocularis nuclear receptor nhr 48 0.0021 0.0052 0.0068
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0205 0.0267
Echinococcus multilocularis pyruvate kinase 0.0038 0.0197 0.0259
Toxoplasma gondii aldehyde dehydrogenase 0.0204 0.1644 1
Schistosoma mansoni nuclear receptor nhr-48 0.0021 0.0052 0.0068
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0336 0.2019
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0204 0.1644 0.2161
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0046 0.0262 0.0344
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0197 0.0146
Brugia malayi nuclear receptor NHR-88 0.0021 0.0052 0.0046
Onchocerca volvulus 0.0094 0.0681 0.0633
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0021 0.0052 0.0046
Mycobacterium leprae Probable lipase LipE 0.0039 0.0205 0.0015
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0046 0.0262 0.0344
Echinococcus granulosus lamin 0.0094 0.0681 0.0896
Mycobacterium ulcerans hypothetical protein 0.0039 0.0205 0.0267
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0046 0.0262 0.0256
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0197 0.0146
Schistosoma mansoni cpg binding protein 0.0062 0.0408 0.0537
Mycobacterium ulcerans aldehyde dehydrogenase 0.0204 0.1644 0.2775
Loa Loa (eye worm) hypothetical protein 0.0038 0.0197 0.0192
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.0798 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0052 0.0068
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0107 0.0798 0.4839
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0021 0.0052 0.0068
Schistosoma mansoni pyruvate kinase 0.002 0.0035 0.0047
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0052 0.0068
Plasmodium falciparum pyruvate kinase 2 0.002 0.0035 0.0093
Brugia malayi hypothetical protein 0.0257 0.2101 0.2096
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0045 0.0259 0.0341
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0392 0.0516
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0262 0.0256
Loa Loa (eye worm) beta-lactamase 0.0039 0.0205 0.02
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.0074 0.0098
Schistosoma mansoni aldehyde dehydrogenase 0.0204 0.1644 0.2161
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.068 0.5786 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0052 0.0068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0021 0.0052 0.0068
Loa Loa (eye worm) hypothetical protein 0.0027 0.0097 0.0091
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0074 0.0069
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0052 0.0068
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0006 0.0007
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0052 0.0046
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0052 0.0047
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0205 0.027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0046 0.0262 0.0256
Brugia malayi intermediate filament protein 0.0094 0.0681 0.0676
Schistosoma mansoni aldehyde dehydrogenase 0.0204 0.1644 0.2161
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0798 0.6826
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0383 0.32 1
Onchocerca volvulus 0.0094 0.0681 0.0633
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0069
Mycobacterium ulcerans beta-lactamase 0.0039 0.0205 0.0267
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.2101 0.2762
Plasmodium falciparum pyruvate kinase 0.0038 0.0197 0.0599
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0205 0.0267
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0205 0.027
Loa Loa (eye worm) nuclear receptor NHR-67 0.0021 0.0052 0.0046
Schistosoma mansoni hypothetical protein 0.0889 0.7605 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0204 0.1644 1
Schistosoma mansoni nuclear receptor 0.0021 0.0052 0.0068
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0205 0.0267
Schistosoma mansoni steroid hormone receptor ad4bp 0.0046 0.0262 0.0344
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.0074 0.0069
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0197 0.1169
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0336 0.4173
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0197 0.2415
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0262 0.0256
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0046 0.0262 0.0344
Loa Loa (eye worm) hypothetical protein 0.1164 1 1
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0052 0.0046
Loa Loa (eye worm) hypothetical protein 0.0092 0.0666 0.0661
Schistosoma mansoni cpg binding protein 0.0066 0.0439 0.0578
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0052 0.0068
Echinococcus granulosus pyruvate kinase 0.002 0.0035 0.0047
Schistosoma mansoni intermediate filament proteins 0.0094 0.0681 0.0896
Echinococcus granulosus intermediate filament protein 0.0094 0.0681 0.0896
Echinococcus granulosus microtubule associated protein 2 0.0749 0.6389 0.8401
Mycobacterium tuberculosis Conserved protein 0.0039 0.0205 0.0267
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0798 0.6826
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Echinococcus multilocularis ecdysone induced protein 78C 0.0046 0.0262 0.0344
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0052 0.0146
Echinococcus multilocularis cpg binding protein 0.0066 0.0439 0.0578
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0336 0.1035
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0006 0.0007
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0383 0.32 1
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0298 0.2249
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0262 0.0344
Schistosoma mansoni ap endonuclease 0.0022 0.0052 0.0069
Brugia malayi jmjC domain containing protein 0.0061 0.0392 0.0387
Brugia malayi steroid hormone receptor 0.0046 0.0262 0.0256
Toxoplasma gondii ABC1 family protein 0.0039 0.0205 0.1219
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0205 0.252
Loa Loa (eye worm) hypothetical protein 0.0039 0.0205 0.02
Brugia malayi Intermediate filament tail domain containing protein 0.0094 0.0681 0.0676
Treponema pallidum fructose-bisphosphate aldolase 0.0147 0.1145 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0074 0.0098
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0383 0.32 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0205 0.0625
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0205 0.14
Mycobacterium ulcerans aldehyde dehydrogenase 0.0204 0.1644 0.2775
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0052 0.0069
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0197 0.0192
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0046 0.0262 0.0344
Leishmania major pyruvate kinase 0.0038 0.0197 0.1169
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0052 0.0589
Echinococcus granulosus nuclear receptor nhr 48 0.0021 0.0052 0.0068
Brugia malayi hypothetical protein 0.0024 0.0074 0.0069
Giardia lamblia Kinase, PLK 0.0107 0.0798 0.6874
Brugia malayi MH2 domain containing protein 0.0137 0.1054 0.1049
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0033 0.0044
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Brugia malayi CXXC zinc finger family protein 0.0062 0.0408 0.0403
Schistosoma mansoni cpg binding protein 0.0066 0.0439 0.0578
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0006 0.0007
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0298 0.2249
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0052 0.0069
Brugia malayi jmjC domain containing protein 0.0064 0.0423 0.0418
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.0097 0.0405
Loa Loa (eye worm) hypothetical protein 0.0094 0.0681 0.0676
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0046 0.0262 0.0256
Schistosoma mansoni RAR-like nuclear receptor 0.0046 0.0262 0.0344
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0205 0.0267
Schistosoma mansoni pyruvate kinase 0.0038 0.0197 0.0259
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0097 0.0091
Entamoeba histolytica hypothetical protein 0.0039 0.0205 0.1398
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0076 0.01
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0205 0.027
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.0423 0.0557
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.002 0.0037 0.0048
Schistosoma mansoni coup transcription factor 0.0046 0.0262 0.0344
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0204 0.1644 0.2161
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0052 0.0589
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Echinococcus multilocularis lamin dm0 0.0094 0.0681 0.0896
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0205 0.02
Trypanosoma brucei polo-like protein kinase 0.0107 0.0798 1
Echinococcus multilocularis pyruvate kinase 0.003 0.0127 0.0167
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0046 0.0262 0.0344
Onchocerca volvulus Bile acid receptor homolog 0.0046 0.0262 0.0211
Loa Loa (eye worm) CXXC zinc finger family protein 0.0062 0.0408 0.0403
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0046 0.0262 0.0344
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0132 0.1018 0.1338
Schistosoma mansoni survival motor neuron protein 0.0052 0.0321 0.0422
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0006 0.0007
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0006 0.0007
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0046 0.0262 0.0344
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.0197 0.0253
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Leishmania major pyruvate kinase 0.0038 0.0197 0.1169
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0205 0.252
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0262 0.0256
Echinococcus multilocularis lamin 0.0094 0.0681 0.0896
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Onchocerca volvulus 0.0046 0.0262 0.0211
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0205 0.0267
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0392 0.0516
Onchocerca volvulus Protein ultraspiracle homolog 0.0046 0.0262 0.0211
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0197 0.0192
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0205 0.027
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0021 0.0052 0.0068
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0052 0.0047
Loa Loa (eye worm) steroid hormone receptor 0.0046 0.0262 0.0256
Echinococcus multilocularis thyroid hormone receptor alpha 0.0046 0.0262 0.0344
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0197 0.2415
Mycobacterium ulcerans aldehyde dehydrogenase 0.0204 0.1644 0.2775
Brugia malayi ecdysone receptor 0.0021 0.0052 0.0046
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0262 0.0344
Brugia malayi tailless protein 0.0021 0.0052 0.0046
Onchocerca volvulus 0.0052 0.0321 0.027
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0298 0.2249
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0107 0.0798 0.0793
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0383 0.32 0.549
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0336 0.1035
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Brugia malayi serine/threonine-protein kinase plk-2 0.0107 0.0798 0.0793
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0033 0.0044
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0205 0.027
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0262 0.0344
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0205 0.0267
Entamoeba histolytica serine/threonine protein kinase, putative 0.0107 0.0798 0.6826
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Brugia malayi beta-lactamase family protein 0.0039 0.0205 0.02
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0069
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.005 0.0302 0.0297
Giardia lamblia Fructose-bisphosphate aldolase 0.0147 0.1145 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0046 0.0262 0.0256
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0006 0.0007
Brugia malayi ecdysteroid receptor 0.0046 0.0262 0.0256
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0197 0.0192
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.002 0.0037 0.0048
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0021 0.0052 0.0068
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0197 0.1325
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0006 0.0007
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.1054 0.1049
Schistosoma mansoni hypothetical protein 0.0039 0.0205 0.027
Brugia malayi beta-lactamase family protein 0.0039 0.0205 0.02
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0046 0.0262 0.0256
Onchocerca volvulus 0.0062 0.0408 0.0358
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0052 0.0146
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0006 0.0007
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0197 0.0192
Loa Loa (eye worm) intermediate filament protein 0.0094 0.0681 0.0676
Onchocerca volvulus 0.1164 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0076 0.01
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0798 0.6826
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0205 0.027
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0197 0.0253
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0046 0.0262 0.0256
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0197 0.2415
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.0074 0.0098
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Echinococcus multilocularis musashi 0.0094 0.0681 0.0896
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0006 0.0007
Echinococcus granulosus pyruvate kinase 0.002 0.0035 0.0047
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.0074 0.0098
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0052 0.0068
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0321 0.0316
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0046 0.0262 0.0256
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0046 0.0262 0.0256
Brugia malayi cytoplasmic intermediate filament protein 0.005 0.0302 0.0297
Brugia malayi Steroid receptor seven-up type 2 0.0046 0.0262 0.0256
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.068 0.5786 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0197 0.0192
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0197 0.0599
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0336 0.4173
Brugia malayi hypothetical protein 0.0024 0.0074 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0205 0.14
Echinococcus multilocularis pyruvate kinase 0.002 0.0035 0.0047
Mycobacterium tuberculosis Conserved protein 0.0039 0.0205 0.0267
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0046 0.0262 0.0344
Brugia malayi hypothetical protein 0.0035 0.0169 0.0164
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0205 0.0015
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0205 0.027
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0147 0.1145 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0392 0.0516
Entamoeba histolytica hypothetical protein 0.0039 0.0205 0.1398
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0205 0.02
Brugia malayi nuclear hormone receptor 0.0046 0.0262 0.0256
Schistosoma mansoni nuclear receptor 0.0021 0.0052 0.0068
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0205 0.14
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0046 0.0262 0.0344
Echinococcus multilocularis FTZ F1 alpha 0.0046 0.0262 0.0344
Brugia malayi nuclear hormone receptor 0.0021 0.0052 0.0046
Echinococcus granulosus pyruvate kinase 0.0038 0.0197 0.0259
Brugia malayi nuclear receptor RXR 0.0024 0.0074 0.0069
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0262 0.0256
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0069
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0046 0.0262 0.0344
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0046 0.0262 0.0256
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0006 0.0007
Schistosoma mansoni retinoic acid receptor RXR 0.0046 0.0262 0.0344
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0021 0.0052 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0262 0.0256
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0392 0.0516
Echinococcus multilocularis pyruvate kinase 0.002 0.0035 0.0047
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0798 0.6826
Loa Loa (eye worm) hypothetical protein 0.0039 0.0205 0.02
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0262 0.0344
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0046 0.0262 0.0256
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0147 0.1145 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0147 0.1145 1
Schistosoma mansoni zinc finger protein 0.0021 0.0052 0.0068
Entamoeba histolytica hypothetical protein 0.0039 0.0205 0.1398
Loa Loa (eye worm) hypothetical protein 0.0021 0.0052 0.0046
Brugia malayi orphan nuclear receptor NR2E1 0.0021 0.0052 0.0046
Echinococcus multilocularis dnaJ subfamily B 0.0889 0.7605 1
Echinococcus granulosus dnaJ subfamily B 0.0889 0.7605 1
Loa Loa (eye worm) nuclear hormone receptor 0.0021 0.0052 0.0046
Loa Loa (eye worm) hypothetical protein 0.0046 0.0262 0.0256
Onchocerca volvulus Serine\/threonine kinase homolog 0.0107 0.0798 0.075
Brugia malayi hypothetical protein 0.0039 0.0205 0.02
Schistosoma mansoni kinase 0.0054 0.0339 0.0446
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0262 0.0344
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0798 0.6826
Loa Loa (eye worm) hypothetical protein 0.0039 0.0205 0.02

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10.1 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) = 9.11 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) = 3.13 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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