Detailed information for compound 1189919

Basic information

Technical information
  • TDR Targets ID: 1189919
  • Name: 101200-48-0
  • MW: 395.39 | Formula: C15H17N5O6S
  • H donors: 1 H acceptors: 7 LogP: 1.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C
  • InChi: 1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
  • InChiKey: VLCQZHSMCYCDJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1TB
  • 2-[[(4-methoxy-6-methyl-s-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoic acid methyl ester
  • 2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylamino]-oxomethyl]sulfamoyl]benzoic acid methyl ester
  • 46013_RIEDEL
  • Benzoic acid, 2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino)carbonyl)amino)sulfonyl)-, methyl ester
  • C10962
  • Cameo
  • Cameo (pesticide)
  • Camer (pesticide)
  • DPX-L 5300
  • EPA Pesticide Chemical Code 128887
  • Express
  • Express (pesticide)
  • Express 75 DF
  • HCHA 92 HE
  • HSDB 6851
  • L 5300
  • Matrix
  • Methyl 2-((((N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino)carbonyl)amino)sulfonyl)benzoate
  • methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
  • methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoate
  • methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoate
  • METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE
  • NCGC00163779-01
  • ST5136654
  • Sulfmethmeton-methyl
  • Tribenuron methyl ester
  • Tribenuron methyl
  • Tribenuron-methyl
  • ZINC00900618

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae acetolactate synthase catalytic subunit Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL No references
Arabidopsis thaliana acetolactate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni acetolactate synthase 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 ulcerans hypothetical protein 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
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative 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
Candida albicans Acetolactate synthase 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
Loa Loa (eye worm) ILVBL protein 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 acetolactate synthase 1 catalytic subunit Get druggable targets OG5_126899 All targets in OG5_126899
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 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
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
Loa Loa (eye worm) thiamine pyrophosphate enzyme 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0028 0.0044 0.0024
Entamoeba histolytica hypothetical protein 0.0073 0.0741 0.1847
Echinococcus granulosus thyroid hormone receptor alpha 0.0028 0.0044 0.0024
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0608 0.6318
Echinococcus granulosus FTZ F1 alpha 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Brugia malayi nuclear receptor NHR-88 0.0059 0.0526 0.125
Brugia malayi hypothetical protein 0.0031 0.0096 0.0228
Schistosoma mansoni nuclear receptor 0.0028 0.0044 0.0024
Brugia malayi intermediate filament protein 0.0026 0.002 0.0048
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0059 0.0526 0.125
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Schistosoma mansoni nuclear receptor 0.0028 0.0044 0.0024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0059 0.0526 0.0507
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0608 0.6318
Echinococcus multilocularis Niemann Pick C1 protein 0.0148 0.1903 0.1887
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0039 0.0214 0.0533
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0602 0.0583
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0028 0.0044 0.0024
Onchocerca volvulus 0.0026 0.002 0.0384
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0741 0.0722
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1763 0.472
Mycobacterium ulcerans hypothetical protein 0.0266 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Brugia malayi ecdysteroid receptor 0.0059 0.0526 0.125
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.0044 0.0024
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.4013 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Brugia malayi nuclear hormone receptor 0.0059 0.0526 0.125
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0059 0.0526 0.125
Loa Loa (eye worm) intermediate filament protein 0.0026 0.002 0.0048
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.002 0.0048
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0302 0.0282
Entamoeba histolytica hypothetical protein 0.0073 0.0741 0.1847
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0096 0.0228
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0059 0.0526 0.125
Schistosoma mansoni coup transcription factor 0.0059 0.0526 0.0507
Onchocerca volvulus 0.0028 0.0044 0.0841
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0114 0.1377 0.3687
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0266 0.3735 0.8882
Schistosoma mansoni hypothetical protein 0.0043 0.0277 0.0257
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0608 0.1445
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0027 0.0064
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0031 0.0096 0.0076
Schistosoma mansoni hypothetical protein 0.0033 0.0127 0.0107
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0302 0.0282
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.4013 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0027 0.0064
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0059 0.0526 0.0507
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1458 0.3468
Brugia malayi hypothetical protein 0.0031 0.0096 0.0228
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0059 0.0526 0.125
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.0044 0.0024
Echinococcus multilocularis muscleblind protein 0.0296 0.4205 0.4193
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4013 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0302 0.0717
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0086 0.0946 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0059 0.0526 1
Echinococcus multilocularis expressed conserved protein 0.0097 0.1119 0.1101
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0608 0.0589
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0365 0.0867
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0602 0.1612
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0228
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0486 0.1155
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0059 0.0526 0.0507
Onchocerca volvulus 0.0059 0.0526 1
Echinococcus multilocularis FTZ F1 alpha 0.0059 0.0526 0.0507
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0027 0.0064
Brugia malayi Cytochrome P450 family protein 0.0027 0.0027 0.0064
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0028 0.0044 0.0841
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0059 0.0526 0.0507
Brugia malayi follicle stimulating hormone receptor 0.0233 0.3228 0.7676
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0266 0.3735 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0059 0.0526 0.0507
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0189 0.017
Loa Loa (eye worm) hypothetical protein 0.0048 0.0359 0.0853
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0086 0.0946 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Schistosoma mansoni hypothetical protein 0.0043 0.0277 0.0257
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0228
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0047 0.0347 0.0929
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0302 0.0231
Loa Loa (eye worm) hypothetical protein 0.0103 0.1216 0.2891
Loa Loa (eye worm) steroid hormone receptor 0.0059 0.0526 0.125
Brugia malayi CHE-14 protein 0.0044 0.0302 0.0717
Brugia malayi nuclear hormone receptor 0.0028 0.0044 0.0105
Schistosoma mansoni RAR-like nuclear receptor 0.0059 0.0526 0.0507
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0526 0.125
Brugia malayi nuclear receptor NHR-67 0.0028 0.0044 0.0105
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0152 0.1972 0.5281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0059 0.0526 0.125
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Schistosoma mansoni steroid hormone receptor ad4bp 0.0059 0.0526 0.0507
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Brugia malayi Cytochrome P450 family protein 0.0027 0.0027 0.0064
Schistosoma mansoni hypothetical protein 0.0043 0.0277 0.0257
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0047 0.0347 0.0929
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Echinococcus granulosus ecdysone induced protein 78C 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0054 0.0456 0.1085
Mycobacterium ulcerans acetolactate synthase 0.0152 0.1972 0.5281
Brugia malayi nuclear hormone receptor family member odr-7 0.0028 0.0044 0.0105
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0059 0.0526 0.125
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0059 0.0526 0.125
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.0044 0.0024
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0608 0.0589
Onchocerca volvulus 0.0028 0.0044 0.0841
Schistosoma mansoni thyroid hormone receptor 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0033 0.0127 0.0302
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1458 0.3468
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0031 0.0096 0.0076
Schistosoma mansoni hypothetical protein 0.0043 0.0277 0.0257
Entamoeba histolytica hypothetical protein 0.0073 0.0741 0.1847
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0059 0.0526 0.125
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0059 0.0526 0.0507
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0365 0.0867
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0059 0.0526 0.125
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0028 0.0044 0.0105
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0059 0.0526 0.0507
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.0044 0.0024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0059 0.0526 0.125
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0608 0.6318
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.1216 0.303
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0365 0.0867
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Schistosoma mansoni hypothetical protein 0.0073 0.0741 0.0722
Brugia malayi MH2 domain containing protein 0.0119 0.1458 0.3468
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0059 0.0526 0.125
Echinococcus multilocularis ecdysone induced protein 78C 0.0059 0.0526 0.0507
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0096 0.0228
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0266 0.3735 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0359 0.0339
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0028 0.0044 0.0024
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0059 0.0526 0.0507
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.002 0.0048
Schistosoma mansoni acetolactate synthase 0.0227 0.3136 0.3122
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Schistosoma mansoni nuclear receptor nhr-48 0.0028 0.0044 0.0024
Onchocerca volvulus 0.0048 0.0359 0.6823
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0266 0.3735 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0059 0.0526 0.0507
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0302 0.0282
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0086 0.0946 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0059 0.0526 0.0507
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0044 0.0024
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1763 0.472
Echinococcus multilocularis protein dispatched 1 0.0051 0.0399 0.0379
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Echinococcus granulosus expressed conserved protein 0.0097 0.1119 0.1101
Loa Loa (eye worm) hypothetical protein 0.0026 0.002 0.0048
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0741 0.0722
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0152 0.1976 0.47
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4013 1
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0152 0.1972 0.5281
Brugia malayi steroid hormone receptor 0.0059 0.0526 0.125
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0228
Echinococcus multilocularis muscleblind protein 1 0.0296 0.4205 0.4193
Schistosoma mansoni zinc finger protein 0.0028 0.0044 0.0024
Brugia malayi conserved hypotetical protein 0.0028 0.0044 0.0105
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0059 0.0526 0.0507
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0059 0.0526 0.125
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0086 0.0946 1
Mycobacterium ulcerans hypothetical protein 0.0086 0.0946 0.2533
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.1216 0.1198
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0028 0.0044 0.0105
Brugia malayi nuclear receptor NHR-88 0.0028 0.0044 0.0105
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0127 0.0302
Mycobacterium ulcerans 2-oxoglutarate ferredoxin oxidoreductase subunit beta 0.0039 0.0214 0.0572
Brugia malayi hypothetical protein 0.0028 0.0044 0.0105
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0044 0.0105
Onchocerca volvulus 0.0026 0.002 0.0384
Leishmania major cytochrome p450-like protein 0.0027 0.0027 0.0137
Loa Loa (eye worm) hypothetical protein 0.0059 0.0526 0.125
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0048 0.0365 0.0867
Brugia malayi ecdysone receptor 0.0028 0.0044 0.0105
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0602 0.0583
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0059 0.0526 0.0507
Brugia malayi hypothetical protein 0.0028 0.0044 0.0105
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0608 0.1445
Loa Loa (eye worm) nuclear receptor NHR-67 0.0028 0.0044 0.0105
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0266 0.3735 1
Brugia malayi Cytochrome P450 family protein 0.0056 0.0486 0.1155
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0028 0.0044 0.0024
Brugia malayi Muscleblind-like protein 0.0296 0.4205 1
Plasmodium falciparum acyl-CoA synthetase 0.0171 0.2261 0.5
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1763 0.472
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0602 0.1612
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0044 0.0105
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0059 0.0526 0.0507
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.3228 0.7676
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0266 0.3735 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0171 0.2261 0.5
Echinococcus granulosus tumor protein p63 0.0328 0.47 0.4689
Echinococcus granulosus Niemann Pick C1 protein 0.0148 0.1903 0.1887
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Echinococcus granulosus muscleblind protein 0.0296 0.4205 0.4193
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0086 0.0946 0.4797
Echinococcus multilocularis tumor protein p63 0.0328 0.47 0.4689
Loa Loa (eye worm) DR-78 0.0028 0.0044 0.0105
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0031 0.0096 0.0076
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0027 0.0073
Schistosoma mansoni thyroid hormone receptor 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0105
Loa Loa (eye worm) hypothetical protein 0.0296 0.4205 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0059 0.0526 1
Loa Loa (eye worm) nuclear hormone receptor 0.0028 0.0044 0.0105
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0059 0.0526 0.125
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0096 0.0076
Echinococcus multilocularis thyroid hormone receptor alpha 0.0059 0.0526 0.0507
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0602 0.3052
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0602 0.1612
Brugia malayi orphan nuclear receptor NR2E1 0.0028 0.0044 0.0105
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0602 0.0583
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0059 0.0526 0.125
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0228
Echinococcus multilocularis protein patched 0.0044 0.0302 0.0282
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0044 0.0024
Brugia malayi nuclear hormone receptor family member nhr-6 0.0028 0.0044 0.0105
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0741 0.0722
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0059 0.0526 0.0507
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0189 0.017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0059 0.0526 0.125
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0059 0.0526 0.0507
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0059 0.0526 0.125
Brugia malayi Steroid receptor seven-up type 2 0.0059 0.0526 0.125
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.1216 0.2891
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0228
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0608 0.0589
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0602 0.0583
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0266 0.3735 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0608 0.3081
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0044 0.0024
Onchocerca volvulus Bile acid receptor homolog 0.0059 0.0526 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0031 0.0096 0.0228
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Loa Loa (eye worm) hypothetical protein 0.0296 0.4205 1
Brugia malayi nuclear receptor RXR 0.0031 0.0096 0.0228
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0028 0.0044 0.0024
Echinococcus multilocularis nuclear receptor nhr 48 0.0028 0.0044 0.0024
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0302 0.0717
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.1241 0.1223
Schistosoma mansoni acetolactate synthase 0.0227 0.3136 0.3122
Echinococcus granulosus nuclear receptor nhr 48 0.0028 0.0044 0.0024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0059 0.0526 0.125
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0059 0.0526 0.125
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0044 0.0024
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.1216 0.1198
Entamoeba histolytica hypothetical protein 0.0073 0.0741 0.1847
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0028 0.0044 0.0841
Brugia malayi nuclear receptor RXR 0.0028 0.0044 0.0105
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0152 0.1972 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0608 0.1515
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0059 0.0526 0.0507
Schistosoma mansoni retinoic acid receptor RXR 0.0059 0.0526 0.0507
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0602 0.1612
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0602 0.5
Loa Loa (eye worm) ILVBL protein 0.0161 0.211 0.5017
Brugia malayi hypothetical protein 0.0073 0.0741 0.1762
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0059 0.0526 0.125
Brugia malayi tailless protein 0.0028 0.0044 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0059 0.0526 0.125
Schistosoma mansoni patched 1 0.0044 0.0302 0.0282
Schistosoma mansoni nuclear hormone receptor 0.0059 0.0526 0.0507
Loa Loa (eye worm) hypothetical protein 0.0026 0.0013 0.003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4013 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0059 0.0526 0.125
Mycobacterium tuberculosis Probable oxidoreductase (beta subunit) 0.0039 0.0214 0.0572

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 253 nM Inhibition of Arabidopsis thaliana AHAS expressed in Escherichia coli strain BL21 (DE3) by colorimetric assay ChEMBL. 16407096
Ki (binding) = 400 nM Inhibition of Saccharomyces cerevisiae acetohydroxyacid synthase by colorimetric assay ChEMBL. 23237384
MIC50 (functional) Antifungal activity against Candida albicans after 72 hrs by broth microdilution method ChEMBL. 23237384
MIC50 (functional) Antifungal activity against Saccharomyces cerevisiae after 72 hrs by broth microdilution assay ChEMBL. 23237384
Potency (functional) 0.0035 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference

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

2 literature references were collected for this gene.

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