Detailed information for compound 338627

Basic information

Technical information
  • TDR Targets ID: 338627
  • Name: 2-[[4-(4-methylphenyl)-3-phenoxybenzoyl]amino ]benzoic acid
  • MW: 423.46 | Formula: C27H21NO4
  • H donors: 2 H acceptors: 3 LogP: 6.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(=O)O
  • InChi: 1S/C27H21NO4/c1-18-11-13-19(14-12-18)22-16-15-20(17-25(22)32-21-7-3-2-4-8-21)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
  • InChiKey: BLHOGYDIPNYJHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-phenoxy-4-(p-tolyl)benzoyl]amino]benzoic acid
  • 2-[[oxo-[3-phenoxy-4-(p-tolyl)phenyl]methyl]amino]benzoic acid
  • 2-[[4-(4-methylphenyl)-3-phenoxy-phenyl]carbonylamino]benzoic acid
  • 2-[[4-(4-methylphenyl)-3-(phenoxy)benzoyl]amino]benzoic acid
  • 2-[[[4-(4-methylphenyl)-3-(phenoxy)phenyl]-oxomethyl]amino]benzoic acid
  • 2-[[4-(4-methylphenyl)-3-(phenoxy)phenyl]carbonylamino]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Enterococcus faecalis (strain ATCC 700802 / V583) Beta-ketoacyl-ACP synthase III Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Plasmodium falciparum beta-ketoacyl-ACP synthase III 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 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
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
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
Chlamydia trachomatis oxoacyl-ACP synthase III 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
Schistosoma japonicum ko:K01641 hydroxymethylglutaryl-CoA synthase [EC2.3.3.10], putative Beta-ketoacyl-ACP synthase III   321 aa 271 aa 22.1 %
Mycobacterium tuberculosis Conserved hypothetical protein Beta-ketoacyl-ACP synthase III   321 aa 310 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0081 0.0655 0.0607
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1149 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.004 0.0444
Echinococcus multilocularis neuropeptide receptor A26 0.0349 0.2997 0.5624
Echinococcus multilocularis thioredoxin glutathione reductase 0.0036 0.0255 0.041
Plasmodium falciparum glutathione reductase 0.0036 0.0255 0.0255
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.0454 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0.0022 0.0252
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0081 0.0655 0.0607
Schistosoma mansoni hypothetical protein 0.0044 0.0332 0.3254
Brugia malayi CHE-14 protein 0.0046 0.0347 0.3893
Loa Loa (eye worm) glutathione reductase 0.0036 0.0255 0.2866
Loa Loa (eye worm) hypothetical protein 0.0057 0.0438 0.4913
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0081 0.0655 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.004 0.0444
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.004 0.0444
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.007 0.0019
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0012 0.0051 0.0039
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0454 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0612 0.5299 1
Plasmodium vivax glutathione reductase, putative 0.0036 0.0255 0.0255
Brugia malayi hypothetical protein 0.0108 0.0891 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.007 0.0104
Schistosoma mansoni hypothetical protein 0.0017 0.0094 0.0602
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0015 0.007 0.0019
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.0454 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0012 0.0051 0.048
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0269 0.3016
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0094 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Echinococcus multilocularis dna polymerase kappa 0.0015 0.007 0.0059
Trypanosoma cruzi DNA polymerase eta, putative 0.0015 0.007 0.0477
Toxoplasma gondii thioredoxin reductase 0.0036 0.0255 0.5618
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.004 0.0444
Echinococcus multilocularis protein patched 0.0046 0.0347 0.0584
Schistosoma mansoni hypothetical protein 0.0017 0.0094 0.0602
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0012 0.0051 0.048
Trypanosoma brucei trypanothione reductase 0.0036 0.0255 0.5299
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.004 0.0444
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0454 0.4612
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.004 0.0444
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0012 0.0051 0.0051
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.0454 0.1403
Echinococcus granulosus dna polymerase kappa 0.0015 0.007 0.0104
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0255 0.5062
Schistosoma mansoni hypothetical protein 0.0044 0.0332 0.3254
Brugia malayi glutathione reductase 0.0036 0.0255 0.2866
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.004 0.0444
Loa Loa (eye worm) transcription factor SMAD2 0.009 0.0731 0.8213
Mycobacterium tuberculosis Probable reductase 0.0081 0.0655 0.0607
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.007 0.0477
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0094 0.0103
Loa Loa (eye worm) hypothetical protein 0.0046 0.0347 0.3893
Leishmania major DNA polymerase eta, putative 0.0015 0.007 0.0477
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0454 1
Brugia malayi ecdysteroid receptor 0.0011 0.004 0.0444
Leishmania major trypanothione reductase 0.0036 0.0255 0.5062
Giardia lamblia DINP protein human, muc B family 0.0015 0.007 0.0477
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1149 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.004 0.0444
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.0454 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.004 0.0444
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1149 1 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0108 0.0884 0.6901
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.0454 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0036 0.0255 0.0729
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0347 0.3893
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.004 0.0444
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.007 0.0934
Entamoeba histolytica fatty acid elongase, putative 0.0149 0.1249 1
Treponema pallidum NADH oxidase 0.0012 0.0051 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0149 0.1249 1
Plasmodium falciparum thioredoxin reductase 0.0036 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0015 0.007 0.0791
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.0454 0.0789
Leishmania major DNA polymerase kappa, putative 0.0015 0.007 0.0477
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0454 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.004 0.0444
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.007 0.0019
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0012 0.0051 0.0575
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0454 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0094 0.1052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.004 0.0444
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0.0022 0.0252
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Brugia malayi MAP kinase sur-1 0.0058 0.0454 0.5102
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.007 0.0934
Loa Loa (eye worm) hypothetical protein 0.0108 0.0884 0.9924
Loa Loa (eye worm) hypothetical protein 0.0108 0.0891 1
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.007 0.0934
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0012 0.0051 0.1126
Echinococcus multilocularis neuropeptide s receptor 0.0349 0.2997 0.5624
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0347 0.1039
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.0454 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.009 0.0735 0.0687
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.004 0.0444
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0419 0.4709
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0015 0.007 0.0477
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.004 0.0444
Echinococcus granulosus Niemann Pick C1 protein 0.0154 0.1288 0.422
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.007 0.0019
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0094 0.1052
Schistosoma mansoni hypothetical protein 0.0044 0.0332 0.3254
Loa Loa (eye worm) hypothetical protein 0.0108 0.0891 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0245 0.2285
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0012 0.0051 0.048
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.009 0.0735 0.0687
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0094 0.0183
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0012 0.0051 0.0129
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0036 0.0255 0.0205
Echinococcus granulosus Niemann Pick C1 protein 0.0108 0.0884 0.2855
Plasmodium falciparum thioredoxin reductase 0.0012 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0037 0.0269 0.3016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.004 0.0444
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0419 0.4709
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0454 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.004 0.0444
Echinococcus multilocularis protein dispatched 1 0.0053 0.0404 0.0693
Trypanosoma brucei protein kinase, putative 0.0058 0.0454 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0015 0.007 0.0477
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.007 0.0791
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.004 0.0444
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.007 0.0059
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0094 0.0183
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0012 0.0051 0.0051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0035 0.0245 0.0391
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.004 0.0444
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0109 0.0898 0.9549
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0245 0.2285
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0094 0.1052
Brugia malayi nuclear hormone receptor 0.0011 0.004 0.0444
Plasmodium falciparum glutathione reductase 0.0012 0.0051 0.0051
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.009 0.0735 1
Trypanosoma brucei unspecified product 0.0015 0.007 0.0934
Schistosoma mansoni DNA polymerase eta 0.0015 0.007 0.0343
Echinococcus multilocularis expressed conserved protein 0.0101 0.0827 0.1497
Entamoeba histolytica fatty acid elongase, putative 0.0149 0.1249 1
Loa Loa (eye worm) MH2 domain-containing protein 0.009 0.0731 0.8213
Echinococcus granulosus GPCR family 2 0.0017 0.0094 0.0183
Schistosoma mansoni hypothetical protein 0.0017 0.0094 0.0602
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1149 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.004 0.0444
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.007 0.0477
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0035 0.0245 0.0391
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0012 0.0051 0.0051
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.0454 0.5102
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0035 0.0245 0.0695
Echinococcus multilocularis GPCR, family 2 0.0017 0.0094 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.004 0.0444
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.007 0.0477
Schistosoma mansoni patched 1 0.0046 0.0347 0.3415
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.004 0.0444
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1149 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0269 0.2547
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.0454 0.0789
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.004 0.0444
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.0454 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.004 0.0444
Echinococcus multilocularis Niemann Pick C1 protein 0.0154 0.1288 0.2373
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.007 0.0791
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.004 0.0444
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.004 0.0444
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0347 0.1039
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0035 0.0245 0.0695
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Echinococcus granulosus neuropeptide receptor A26 0.0349 0.2997 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0108 0.0884 0.1605
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Brugia malayi Niemann-Pick C1 protein precursor 0.0108 0.0884 0.9924
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.007 0.0343
Onchocerca volvulus Huntingtin homolog 0.0108 0.0891 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.004 0.0444
Echinococcus granulosus expressed conserved protein 0.0101 0.0827 0.2662
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.004 0.0444
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.007 0.0477
Brugia malayi steroid hormone receptor 0.0011 0.004 0.0444
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0245 0.2285
Plasmodium vivax thioredoxin reductase, putative 0.0036 0.0255 0.0255
Brugia malayi Thioredoxin reductase 0.0036 0.0255 0.2866
Onchocerca volvulus Huntingtin homolog 0.0108 0.0891 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.007 0.0791
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0015 0.007 0.0477
Schistosoma mansoni hypothetical protein 0.0017 0.0094 0.0602
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Echinococcus multilocularis dna polymerase eta 0.0015 0.007 0.0059
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.0454 1
Schistosoma mansoni hypothetical protein 0.0044 0.0332 0.3254
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0454 1
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0347 0.733
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0347 0.0584
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0081 0.0655 0.0607
Echinococcus granulosus neuropeptide s receptor 0.0349 0.2997 1
Brugia malayi MH2 domain containing protein 0.009 0.0731 0.8213
Onchocerca volvulus 0.0011 0.004 0.0444
Echinococcus granulosus dna polymerase eta 0.0015 0.007 0.0104
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0094 0.1052
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1149 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.009 0.0735 0.0687
Entamoeba histolytica fatty acid elongase, putative 0.0149 0.1249 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Loa Loa (eye worm) hypothetical protein 0.0011 0.004 0.0444
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0035 0.0245 0.2752
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.007 0.0934
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.007 0.0343
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0419 0.4709
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0012 0.0051 0.0022
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1149 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0012 0.0051 0.048
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Loa Loa (eye worm) hypothetical protein 0.0054 0.0419 0.4709
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.0454 0.1403
Loa Loa (eye worm) thioredoxin reductase 0.0036 0.0255 0.2866
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0035 0.0245 0.2752
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0012 0.0051 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.007 0.0934
Toxoplasma gondii NADPH-glutathione reductase 0.0012 0.0051 0.1126
Entamoeba histolytica fatty acid elongase, putative 0.0149 0.1249 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.004 0.0444
Mycobacterium tuberculosis Probable dehydrogenase 0.0081 0.0655 0.0607

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.795 Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay ChEMBL. 17707951
IC50 (binding) = 0.16 uM Inhibitory concentration against Enterococcus faecalis beta-Ketoacyl-acyl carrier protein synthase III ChEMBL. 15743201
IC50 (binding) = 0.16 uM Inhibitory concentration against Enterococcus faecalis beta-Ketoacyl-acyl carrier protein synthase III ChEMBL. 15743201

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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