Detailed information for compound 516636

Basic information

Technical information
  • TDR Targets ID: 516636
  • Name: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfa moyl]benzoic acid
  • MW: 350.35 | Formula: C14H14N4O5S
  • H donors: 3 H acceptors: 7 LogP: 1.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NS(=O)(=O)c1ccccc1C(=O)O)Nc1nc(C)cc(n1)C
  • InChi: 1S/C14H14N4O5S/c1-8-7-9(2)16-13(15-8)17-14(21)18-24(22,23)11-6-4-3-5-10(11)12(19)20/h3-7H,1-2H3,(H,19,20)(H2,15,16,17,18,21)
  • InChiKey: FZMKKCQHDROFNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid
  • 74223-56-6
  • 2-(((((4,6-Dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)benzoic acid
  • 2-(3-(4,6-Dimethylpyrimidin-2-yl)ureidosulfonyl)benzoic acid
  • 2-(3-(4,6-Dimethylpyrimidin-2-yl)ureidosulphonyl)benzoic acid
  • BRN 0937935
  • Benzoic acid, 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-
  • Benzoic acid, 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)- (9CI)
  • SULFOMETURON
  • Sulfometuron [ANSI:BSI:ISO]

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bromus tectorum Acetolactate synthase Starlite/ChEMBL References
Raphanus raphanistrum Acetolactate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) thiamine pyrophosphate enzyme Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) ILVBL protein Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit Get druggable targets OG5_126899 All targets in OG5_126899
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans putative indole-3-pyruvate decarboxylase Acetolactate synthase   604 aa 529 aa 22.3 %
Cryptosporidium parvum pyruvate decarboxylase Acetolactate synthase   583 aa 486 aa 20.4 %
Onchocerca volvulus UPF0553 protein C9orf64 homolog Acetolactate synthase   604 aa 534 aa 25.3 %
Candida albicans putative indole-3-pyruvate decarboxylase Acetolactate synthase   604 aa 529 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni steroid hormone receptor ad4bp 0.005 0.028 0.0272
Schistosoma mansoni hypothetical protein 0.0034 0.0094 0.0085
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.02 0.1985 0.3524
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Brugia malayi nuclear hormone receptor 0.005 0.028 0.0483
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0083 0.0073
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0086 0.0687 0.4604
Brugia malayi Nuclear hormone receptor family member nhr-49 0.005 0.028 0.0483
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0039 0.0147 0.1206
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0181 0.067
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0266 0.2739 0.2631
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0152 0.1442 0.1314
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.0239 0.0231
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0255 0.2623 0.2627
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0086 0.0687 1
Schistosoma mansoni heat shock protein 0.0044 0.0212 0.0203
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0896 0.9932 0.9971
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Echinococcus multilocularis heat shock protein 90 0.0038 0.0139 0.013
Schistosoma mansoni Smad4 0.0035 0.0109 0.01
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.028 0.0483
Loa Loa (eye worm) hypothetical protein 0.0036 0.0113 0.0185
Brugia malayi Pre-SET motif family protein 0.0033 0.0083 0.0131
Leishmania major hypothetical protein, conserved 0.0076 0.057 0.3775
Echinococcus granulosus X box binding protein 1 0.0318 0.3339 0.3346
Plasmodium falciparum endoplasmin, putative 0.0032 0.0073 0.045
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0038 0.0139 0.013
Echinococcus granulosus heat shock protein 90 0.0038 0.0139 0.013
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.2331 0.4141
Onchocerca volvulus Huntingtin homolog 0.0135 0.1251 0.4561
Brugia malayi steroid hormone receptor 0.005 0.028 0.0483
Loa Loa (eye worm) hypothetical protein 0.0076 0.057 0.1001
Echinococcus multilocularis expressed conserved protein 0.0102 0.0872 0.0867
Echinococcus multilocularis tar DNA binding protein 0.02 0.1985 0.1985
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0662 0.0656
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0139 0.1499
Giardia lamblia Heat shock protein HSP 90-alpha 0.0044 0.0212 1
Plasmodium falciparum heat shock protein 90, putative 0.0168 0.1622 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0084 0.0662 0.4084
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0039 0.0147 0.0547
Echinococcus multilocularis protein dispatched 1 0.0053 0.0314 0.0306
Loa Loa (eye worm) endoplasmin 0.0044 0.0212 0.0361
Brugia malayi Nuclear hormone receptor family member nhr-1 0.005 0.028 0.0483
Loa Loa (eye worm) hypothetical protein 0.0109 0.0948 0.1674
Onchocerca volvulus 0.0262 0.2693 1
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0086 0.0687 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0109 0.0177
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0255 0.2623 0.4663
Onchocerca volvulus 0.0033 0.0083 0.0153
Schistosoma mansoni hypothetical protein 0.0045 0.022 0.0211
Echinococcus multilocularis heat shock protein 90 0.0044 0.0212 0.0203
Brugia malayi nuclear receptor NHR-88 0.005 0.028 0.0483
Schistosoma mansoni smad1 5 8 and 0.0035 0.0109 0.01
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.028 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-41 0.005 0.028 0.0483
Echinococcus multilocularis isocitrate dehydrogenase 0.0084 0.0662 0.0656
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.057 0.3518
Echinococcus granulosus ecdysone induced protein 78C 0.005 0.028 0.0272
Schistosoma mansoni acetolactate synthase 0.0227 0.2298 0.23
Brugia malayi hypothetical protein 0.0282 0.2927 0.5205
Echinococcus multilocularis smad 0.0035 0.0109 0.01
Echinococcus multilocularis thyroid hormone receptor alpha 0.005 0.028 0.0272
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0181 0.099
Trypanosoma cruzi heat shock protein 90, putative 0.0044 0.0212 0.2632
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.028 0.0483
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0329 0.0321
Schistosoma mansoni heat shock protein 0.0029 0.0042 0.0033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.028 0.0483
Brugia malayi ecdysteroid receptor 0.005 0.028 0.0483
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.005 0.028 0.0483
Mycobacterium ulcerans heat shock protein 90 0.0042 0.0181 0.0034
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.057 0.8199
Plasmodium vivax heat shock protein, putative 0.0168 0.1622 1
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Echinococcus granulosus Protein patched homolog 1 0.0047 0.0239 0.0231
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0662 0.0656
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0329 0.0321
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0662 0.3927
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0181 0.5
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.0948 0.4919
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Echinococcus multilocularis geminin 0.0898 0.9961 1
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.057 0.3346
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0212 0.2632
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.005 0.028 0.0483
Trypanosoma brucei heat shock protein 90, putative 0.0044 0.0212 0.2632
Schistosoma mansoni retinoic acid receptor RXR 0.005 0.028 0.0272
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0662 0.9624
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0266 0.2739 0.2606
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0266 0.2739 0.2631
Echinococcus multilocularis endoplasmin 0.0042 0.0181 0.0172
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0301 0.0521
Echinococcus multilocularis survival motor neuron protein 1 0.0282 0.2927 0.2931
Onchocerca volvulus Huntingtin homolog 0.0135 0.1251 0.4561
Brugia malayi RNA recognition motif domain containing protein 0.02 0.1985 0.3524
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.005 0.028 0.0272
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0266 0.2739 0.487
Schistosoma mansoni niemann-pick C1 (NPC1) 0.011 0.0967 0.0962
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0086 0.0687 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.0181 0.0034
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0109 0.01
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0039 0.0147 0.0547
Schistosoma mansoni hypothetical protein 0.0045 0.022 0.0211
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0039 0.0147 0.0547
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0109 0.01
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0094 0.0085
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0301 0.0521
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0239 0.0887
Schistosoma mansoni hypothetical protein 0.0058 0.0363 0.0355
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0084 0.0662 0.9624
Schistosoma mansoni transcription factor LCR-F1 0.0191 0.1884 0.1883
Loa Loa (eye worm) hypothetical protein 0.0033 0.0083 0.0131
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.028 0.0272
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.057 0.8199
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.005 0.028 0.0272
Plasmodium vivax SET domain protein, putative 0.0033 0.0083 0.0258
Loa Loa (eye worm) MH2 domain-containing protein 0.0517 0.5614 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.036 0.3814 0.3823
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0084 0.0662 0.0656
Loa Loa (eye worm) ILVBL protein 0.0161 0.1543 0.2736
Entamoeba histolytica hypothetical protein 0.0191 0.1884 1
Plasmodium vivax heat shock protein 86, putative 0.0044 0.0212 0.1074
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0662 0.3927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0329 0.0321
Loa Loa (eye worm) steroid hormone receptor 0.005 0.028 0.0483
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0152 0.1442 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0084 0.0662 0.1165
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0086 0.0687 1
Echinococcus granulosus smad 0.0035 0.0109 0.01
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0363 0.0631
Brugia malayi MH2 domain containing protein 0.0517 0.5614 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.005 0.028 0.0272
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0212 0.2632
Schistosoma mansoni tar DNA-binding protein 0.02 0.1985 0.1985
Loa Loa (eye worm) heat shock protein 90 0.0044 0.0212 0.0361
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0266 0.2739 0.2631
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.0239 0.0231
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0139 0.1499
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0039 0.0147 0.0547
Plasmodium vivax acyl-CoA synthetase, putative 0.0152 0.1442 0.8862
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.057 0.3346
Schistosoma mansoni hypothetical protein 0.0318 0.3339 0.3346
Schistosoma mansoni thyroid hormone receptor 0.005 0.028 0.0272
Brugia malayi Hsp90 protein 0.0029 0.0042 0.0058
Treponema pallidum heat shock protein 90 0.0042 0.0181 1
Schistosoma mansoni tar DNA-binding protein 0.02 0.1985 0.1985
Loa Loa (eye worm) hypothetical protein 0.0057 0.0359 0.0623
Brugia malayi Nuclear hormone receptor family member nhr-3 0.005 0.028 0.0483
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0083 0.0073
Schistosoma mansoni hypothetical protein 0.0045 0.022 0.0211
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Echinococcus multilocularis Niemann Pick C1 protein 0.0155 0.1481 0.1478
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.005 0.028 0.0483
Loa Loa (eye worm) hypothetical protein 0.0135 0.1251 0.2215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.005 0.028 0.0483
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0212 0.0786
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0662 0.4432
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.005 0.028 0.0272
Trichomonas vaginalis endoplasmin, putative 0.0032 0.0073 0.0271
Trypanosoma brucei heat shock protein 90, putative 0.0044 0.0212 0.2632
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Schistosoma mansoni smad1 5 8 and 0.0035 0.0109 0.01
Plasmodium falciparum acyl-CoA synthetase 0.0152 0.1442 0.8891
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0662 0.0656
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0109 0.0177
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.0239 0.0409
Onchocerca volvulus Protein ultraspiracle homolog 0.005 0.028 0.0899
Loa Loa (eye worm) RNA binding protein 0.02 0.1985 0.3524
Schistosoma mansoni voltage-gated potassium channel 0.0255 0.2623 0.2627
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0329 0.0321
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0084 0.0662 0.9624
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Mycobacterium ulcerans acetolactate synthase 0.0152 0.1442 0.1314
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.028 0.0483
Loa Loa (eye worm) hypothetical protein 0.0052 0.0301 0.0521
Schistosoma mansoni hypothetical protein 0.0898 0.9961 1
Echinococcus granulosus Niemann Pick C1 protein 0.0155 0.1481 0.1478
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0109 0.01
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0139 0.0515
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.005 0.028 0.0272
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0212 0.2632
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.005 0.028 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.005 0.028 0.0483
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.028 0.0483
Schistosoma mansoni retinoid-x-receptor (RXR) 0.005 0.028 0.0272
Loa Loa (eye worm) TAR-binding protein 0.02 0.1985 0.3524
Echinococcus multilocularis FTZ F1 alpha 0.005 0.028 0.0272
Echinococcus multilocularis potassium voltage gated channel protein 0.0255 0.2623 0.2627
Toxoplasma gondii heat shock protein 90, putative 0.0044 0.0212 0.1074
Schistosoma mansoni voltage-gated potassium channel 0.0255 0.2623 0.2627
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0152 0.1442 0.1314
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0083 0.0073
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0109 0.01
Echinococcus granulosus heat shock protein 90 0.0044 0.0212 0.0203
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0084 0.0662 0.3927
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.028 0.0483
Schistosoma mansoni endoplasmin 0.0044 0.0212 0.0203
Schistosoma mansoni smad1 5 8 and 0.0035 0.0109 0.01
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0029 0.0042 0.0033
Loa Loa (eye worm) hypothetical protein 0.0282 0.2927 0.5205
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0152 0.1445 0.2561
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0084 0.0662 0.0656
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Schistosoma mansoni RAR-like nuclear receptor 0.005 0.028 0.0272
Loa Loa (eye worm) hypothetical protein 0.0135 0.1251 0.2215
Schistosoma mansoni hypothetical protein 0.0191 0.1884 0.1883
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0083 0.0073
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.028 0.0272
Brugia malayi hypothetical protein 0.0049 0.0264 0.0454
Schistosoma mansoni acetolactate synthase 0.0227 0.2298 0.23
Entamoeba histolytica heat shock protein 90, putative 0.0044 0.0212 0.0921
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0329 0.057
Echinococcus multilocularis protein patched 0.0047 0.0239 0.0231
Schistosoma mansoni heat shock protein 0.0044 0.0212 0.0203
Loa Loa (eye worm) Smad1 0.0035 0.0109 0.0177
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0902 1 1
Onchocerca volvulus 0.005 0.028 0.0899
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.005 0.028 0.0272
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0244 0.2496 0.2498
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0094 0.0085
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0084 0.0662 0.0523
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Brugia malayi heat shock protein 90 0.0044 0.0212 0.0361
Echinococcus granulosus tar DNA binding protein 0.02 0.1985 0.1985
Schistosoma mansoni smad 0.0035 0.0109 0.01
Schistosoma mansoni hypothetical protein 0.0898 0.9961 1
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.005 0.028 0.0272
Brugia malayi TAR-binding protein 0.02 0.1985 0.3524
Loa Loa (eye worm) transcription factor SMAD2 0.0517 0.5614 1
Echinococcus granulosus potassium voltage gated channel protein 0.0255 0.2623 0.2627
Brugia malayi photoreceptor-specific nuclear receptor 0.005 0.028 0.0483
Toxoplasma gondii heat shock protein HSP90 0.0044 0.0212 0.1074
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0083 0.0073
Brugia malayi Steroid receptor seven-up type 2 0.005 0.028 0.0483
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.028 0.0272
Echinococcus granulosus FTZ F1 alpha 0.005 0.028 0.0272
Schistosoma mansoni survival motor neuron protein 0.0058 0.0363 0.0355
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.0948 0.0943
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0073 0.0271
Entamoeba histolytica hypothetical protein 0.0191 0.1884 1
Trichomonas vaginalis set domain proteins, putative 0.0262 0.2693 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.005 0.028 0.0483
Mycobacterium ulcerans hypothetical protein 0.0266 0.2739 0.2631
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.0948 0.1674
Toxoplasma gondii Hsp90 domain-containing protein 0.0168 0.1622 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0114 0.1004 0.0869
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0329 0.0321
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0329 0.0321
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0039 0.0147 0.0547
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.057 0.3518
Echinococcus granulosus endoplasmin 0.0042 0.0181 0.0172
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.005 0.028 0.0272
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0047 0.0245 0.0099
Brugia malayi MH1 domain containing protein 0.0035 0.0109 0.0177
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.057 0.8199
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0191 0.1884 0.1883
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0039 0.0147 0.0547
Schistosoma mansoni Tr4/Tr2 (homologue) 0.005 0.028 0.0272
Echinococcus granulosus geminin 0.0898 0.9961 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0084 0.0662 0.0656
Schistosoma mansoni tar DNA-binding protein 0.02 0.1985 0.1985
Schistosoma mansoni tar DNA-binding protein 0.02 0.1985 0.1985
Schistosoma mansoni thyroid hormone receptor 0.005 0.028 0.0272
Loa Loa (eye worm) hypothetical protein 0.0047 0.0239 0.0409
Echinococcus granulosus heat shock protein 0.0044 0.0212 0.0203
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0266 0.2739 0.2631
Echinococcus granulosus retinoic acid receptor rxr beta a 0.005 0.028 0.0272
Echinococcus granulosus expressed conserved protein 0.0102 0.0872 0.0867
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0301 0.0521
Schistosoma mansoni endoplasmin 0.0044 0.0212 0.0203
Entamoeba histolytica hypothetical protein 0.0191 0.1884 1
Mycobacterium ulcerans proteasome PrcA 0.0902 1 1
Brugia malayi Isocitrate dehydrogenase 0.0084 0.0662 0.1165
Brugia malayi RNA binding protein 0.02 0.1985 0.3524
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0109 0.01
Brugia malayi MH2 domain containing protein 0.0035 0.0109 0.0177
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0047 0.0245 0.0066
Brugia malayi hypothetical protein 0.0135 0.1251 0.2215
Loa Loa (eye worm) heat shock protein 75 0.0029 0.0042 0.0058
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Entamoeba histolytica hypothetical protein 0.0191 0.1884 1
Schistosoma mansoni coup transcription factor 0.005 0.028 0.0272
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0029 0.0042 0.0033
Schistosoma mansoni patched 1 0.0047 0.0239 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-40 0.005 0.028 0.0483
Brugia malayi Pre-SET motif family protein 0.023 0.2331 0.4141
Trypanosoma cruzi Heat shock protein 83, putative 0.0044 0.0212 0.2632
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.005 0.028 0.0483
Brugia malayi MH2 domain containing protein 0.0035 0.0109 0.0177
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0191 0.1884 0.1883
Brugia malayi CHE-14 protein 0.0047 0.0239 0.0409
Schistosoma mansoni nuclear hormone receptor 0.005 0.028 0.0272
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Brugia malayi hypothetical protein 0.0191 0.1884 0.3343
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0662 0.9624
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0329 0.057
Brugia malayi hypothetical protein 0.0076 0.057 0.1001
Echinococcus multilocularis Smad4 0.0035 0.0109 0.01
Echinococcus multilocularis X box binding protein 1 0.0318 0.3339 0.3346
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0113 0.0185
Loa Loa (eye worm) hypothetical protein 0.0255 0.2623 0.4663
Plasmodium falciparum heat shock protein 90 0.0044 0.0212 0.1305
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.028 0.0483
Echinococcus multilocularis heat shock protein 0.0044 0.0212 0.0203
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.005 0.028 0.0272
Entamoeba histolytica heat shock protein 90, putative 0.0044 0.0212 0.0921
Schistosoma mansoni hypothetical protein 0.0045 0.022 0.0211
Mycobacterium ulcerans hypothetical protein 0.0086 0.0687 0.0547
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0266 0.2739 0.2606
Schistosoma mansoni hypothetical protein 0.0036 0.0113 0.0104
Onchocerca volvulus Bile acid receptor homolog 0.005 0.028 0.0899
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.005 0.028 0.0899
Brugia malayi Nuclear hormone receptor family member nhr-14 0.005 0.028 0.0483
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0083 0.0258
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0039 0.0147 0.0573
Schistosoma mansoni tar DNA-binding protein 0.02 0.1985 0.1985
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Brugia malayi Endoplasmin precursor 0.0044 0.0212 0.0361
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Giardia lamblia Grp94/Hsp90 0.0042 0.0181 0.5748
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Brugia malayi MH1 domain containing protein 0.0035 0.0109 0.0177
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.005 0.028 0.0272
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.0948 0.0943
Brugia malayi Smad1 0.0035 0.0109 0.0177
Loa Loa (eye worm) hypothetical protein 0.005 0.028 0.0483
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0069 0.006
Brugia malayi isocitrate dehydrogenase 0.0084 0.0662 0.1165
Onchocerca volvulus 0.0058 0.0363 0.1211
Trypanosoma brucei Heat shock protein 83, putative 0.0044 0.0212 0.2632
Leishmania major heat shock protein 83-1 0.0044 0.0212 0.1212
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0181 0.067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0329 0.0321
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0083 0.0073
Echinococcus granulosus Smad4 0.0035 0.0109 0.01
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.005 0.028 0.0272
Echinococcus granulosus survival motor neuron protein 1 0.0282 0.2927 0.2931
Trypanosoma brucei heat shock protein, putative 0.0044 0.0212 0.2632
Plasmodium vivax endoplasmin, putative 0.0044 0.0212 0.1074
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0083 0.0073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.005 0.028 0.0483
Echinococcus multilocularis ecdysone induced protein 78C 0.005 0.028 0.0272

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0019 uM Inhibition of ALS in ALS-inhibiting herbicide-resistant Bromus diandrus var. rigidus leaf blades ChEMBL. 22383419
IC50 (binding) = 0.00314 uM Inhibition of ALS in ALS-inhibiting herbicide-susceptible Bromus diandrus var. rigidus leaf blades ChEMBL. 22383419
IC50 (binding) = 0.023 uM Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR33 (wild radish) ChEMBL. 22431132
IC50 (binding) = 0.023 uM Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR7 (wild radish) ChEMBL. 22431132
IC50 (binding) > 100 uM Inhibition of ALS Ala122Tyr mutant in ALS-herbicide-resistant Raphanus raphanistrum WARR30 (wild radish) expressing ALS Ala122Tyr mutant ChEMBL. 22431132
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Candida albicans SC5314 after 24 hrs by broth macrodilution method ChEMBL. 17325226
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Candida albicans P5 after 24 hrs by broth macrodilution method ChEMBL. 17325226
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Candida albicans SC5314 after 48 hrs by broth macrodilution method ChEMBL. 17325226
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Candida albicans P5 after 48 hrs by broth macrodilution method ChEMBL. 17325226
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Candida albicans P5 after 24 hrs by broth macrodilution method ChEMBL. 17325226
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Candida albicans P5 after 48 hrs by broth macrodilution method ChEMBL. 17325226

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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