Detailed information for compound 880647

Basic information

Technical information
  • TDR Targets ID: 880647
  • Name: methyl 2-[[3-(4-fluorophenyl)-1-methoxy-1-oxo propan-2-yl]sulfamoyl]benzoate
  • MW: 395.402 | Formula: C18H18FNO6S
  • H donors: 1 H acceptors: 4 LogP: 2.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(NS(=O)(=O)c1ccccc1C(=O)OC)Cc1ccc(cc1)F
  • InChi: 1S/C18H18FNO6S/c1-25-17(21)14-5-3-4-6-16(14)27(23,24)20-15(18(22)26-2)11-12-7-9-13(19)10-8-12/h3-10,15,20H,11H2,1-2H3
  • InChiKey: LHWCQYUYFZMJNG-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methoxy-2-oxo-ethyl]sulfamoyl]benzoate
  • 2-[[1-[(4-fluorophenyl)methyl]-2-methoxy-2-oxoethyl]sulfamoyl]benzoic acid methyl ester
  • 2-[[1-(4-fluorobenzyl)-2-keto-2-methoxy-ethyl]sulfamoyl]benzoic acid methyl ester
  • methyl 2-[[3-(4-fluorophenyl)-1-methoxy-1-oxo-propan-2-yl]sulfamoyl]benzoate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0388 0.2769 1
Echinococcus granulosus geminin 0.0338 0.2403 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1375 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0081 0.0331
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.0598 0.0794
Loa Loa (eye worm) hypothetical protein 0.0011 0.001 0.0055
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0227 0.0939
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.001 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0081 0.0331
Echinococcus granulosus GPCR family 2 0.0016 0.0047 0.0192
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0081 0.0331
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0081 0.0331
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0081 0.0331
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0081 0.0331
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0018 0.0068
Trichomonas vaginalis set domain proteins, putative 0.0251 0.1767 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.03 0.1936
Loa Loa (eye worm) hypothetical protein 0.0011 0.001 0.0055
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.03 0.1936
Onchocerca volvulus 0.0021 0.0081 0.0451
Brugia malayi glutathione reductase 0.004 0.0223 0.1435
Toxoplasma gondii NADPH-glutathione reductase 0.0014 0.0032 0.0113
Loa Loa (eye worm) hypothetical protein 0.0027 0.0125 0.0803
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0081 0.0331
Brugia malayi nuclear receptor NHR-88 0.0021 0.0081 0.0515
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0081 0.0515
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0153 0.063
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1375 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0081 0.0515
Plasmodium vivax glutathione reductase, putative 0.004 0.0223 1
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0081 0.0331
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0125 0.4894
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Echinococcus granulosus cpg binding protein 0.0032 0.0165 0.0682
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0007 0.004
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0081 0.0331
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0081 0.0515
Brugia malayi steroid hormone receptor 0.0021 0.0081 0.0515
Brugia malayi nuclear hormone receptor 0.0021 0.0081 0.0515
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.001 0.0055
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0223 0.0268
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0125 0.0451
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0032 0.0126
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.001 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0166 0.0686
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.001 0.0035
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.1067
Brugia malayi CXXC zinc finger family protein 0.003 0.0152 0.0979
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0081 0.0515
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0081 0.0515
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0081 0.0331
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0081 0.0515
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Toxoplasma gondii thioredoxin reductase 0.004 0.0223 0.0803
Schistosoma mansoni hypothetical protein 0.0016 0.0047 0.0192
Echinococcus multilocularis GPCR, family 2 0.0016 0.0047 0.0192
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0166 0.0686
Schistosoma mansoni cpg binding protein 0.0032 0.0165 0.0682
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0081 0.0515
Schistosoma mansoni hypothetical protein 0.0338 0.2403 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0081 0.0331
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0223 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0047 0.0298
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0081 0.0331
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0166 0.0686
Brugia malayi Pre-SET motif family protein 0.0221 0.1545 1
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0988 0.7161 1
Onchocerca volvulus 0.0032 0.0166 0.0933
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0101 0.0672 0.0899
Mycobacterium tuberculosis Probable reductase 0.0091 0.0598 0.0794
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.001 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0081 0.0331
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0047 0.0192
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0047 0.0298
Brugia malayi Pre-SET motif family protein 0.0032 0.0166 0.1067
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0081 0.0451
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0388 0.2769 0.2746
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0988 0.7161 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0388 0.2769 0.3308
Brugia malayi ecdysteroid receptor 0.0021 0.0081 0.0515
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0005 0.0022
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0081 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0081 0.0515
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0047 0.0192
Loa Loa (eye worm) hypothetical protein 0.0011 0.001 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0081 0.0515
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0081 0.0331
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.0598 0.0794
Schistosoma mansoni cpg binding protein 0.0032 0.0165 0.0682
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0081 0.0331
Plasmodium falciparum thioredoxin reductase 0.004 0.0223 1
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0081 0.0331
Loa Loa (eye worm) hypothetical protein 0.0011 0.001 0.0055
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0 0.0002
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.001 0 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0014 0.0032 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.001 0.0035
Schistosoma mansoni coup transcription factor 0.0021 0.0081 0.0331
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0166 0.0686
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0125 0.4894
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.0598 0.0794
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0005 0.0022
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0081 0.0451
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.041 0.1702
Schistosoma mansoni hypothetical protein 0.0035 0.0183 0.0757
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0081 0.0331
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0081 0.0515
Plasmodium vivax SET domain protein, putative 0.0032 0.0166 0.7027
Plasmodium falciparum glutathione reductase 0.004 0.0223 1
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0081 0.0515
Onchocerca volvulus 0.003 0.0152 0.0856
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0081 0.0331
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0166 0.0686
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0101 0.0672 0.0113
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.001 0 0.5
Leishmania major trypanothione reductase 0.004 0.0223 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0018 0.0068
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0166 0.0686
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0081 0.0515
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1375 1 1
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0223 0.1435
Trichomonas vaginalis glutathione reductase, putative 0.0014 0.0032 0.0178
Schistosoma mansoni hypothetical protein 0.0338 0.2403 1
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0081 0.0331
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0081 0.0451
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0081 0.0515
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0081 0.0515
Trypanosoma brucei trypanothione reductase 0.004 0.0223 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0007 0.0026
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0081 0.0515
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0032 0.0126
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.001 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0081 0.0515
Loa Loa (eye worm) glutathione reductase 0.004 0.0223 0.1435
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0081 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0081 0.0515
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0227 0.0939
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0125 0.4894
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0183 0.1178
Brugia malayi hypothetical protein 0.0148 0.1013 0.6556
Brugia malayi hypothetical protein 0.0027 0.0125 0.0803
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0081 0.0515
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0032 0.0126
Echinococcus multilocularis geminin 0.0338 0.2403 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.001 0.0055
Loa Loa (eye worm) hypothetical protein 0.0011 0.001 0.0055
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0081 0.0331
Brugia malayi nuclear receptor RXR 0.0011 0.001 0.0055
Leishmania major hypothetical protein, conserved 0.0027 0.0125 0.4894
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.0598 0.0794
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0101 0.0672 0.0899
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.036 0.1297
Trichomonas vaginalis MYB, putative 0.001 0 0.0002
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0081 0.0331
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0032 0.0197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0081 0.0515
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0125 0.4894
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0081 0.0331
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.03 0.1936
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0081 0.0515
Loa Loa (eye worm) hypothetical protein 0.0035 0.0183 0.1178
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0006 0.0034
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0 0.0002
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0081 0.0331
Onchocerca volvulus 0.0251 0.1767 1
Schistosoma mansoni hypothetical protein 0.0016 0.0047 0.0192
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.001 0 0.5
Brugia malayi Thioredoxin reductase 0.004 0.0223 0.1435
Onchocerca volvulus 0.0148 0.1013 0.5731
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0047 0.0192
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0298
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.0598 0.0794
Brugia malayi hypothetical protein 0.0017 0.0056 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0081 0.0515
Brugia malayi hypothetical protein 0.0011 0.001 0.0055
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0007 0.0026
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0166 0.0686
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0081 0.0515
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0081 0.0331
Schistosoma mansoni hypothetical protein 0.0016 0.0047 0.0192
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.1545 1
Echinococcus multilocularis cpg binding protein 0.0032 0.0165 0.0682
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0081 0.0331
Trichomonas vaginalis mercuric reductase, putative 0.0014 0.0032 0.0178
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0081 0.0331
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0047 0.0192
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0125 0.4894
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0081 0.0331
Loa Loa (eye worm) hypothetical protein 0.0051 0.03 0.1936
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0152 0.0979
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0081 0.0515
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0081 0.0515
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0081 0.0331
Schistosoma mansoni cpg binding protein 0.003 0.0152 0.0629
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.001 0.0055
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0047 0.0298
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0166 0.0598
Brugia malayi hypothetical protein 0.0011 0.001 0.0055
Schistosoma mansoni hypothetical protein 0.0012 0.0018 0.0068
Mycobacterium tuberculosis Probable oxidoreductase 0.0101 0.0672 0.0899
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0125 0.4894
Loa Loa (eye worm) hypothetical protein 0.0021 0.0081 0.0515
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0014 0.0032 0.0113
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0223 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0388 0.2769 0.2746
Schistosoma mansoni hypothetical protein 0.0016 0.0047 0.0192
Loa Loa (eye worm) hypothetical protein 0.0148 0.1013 0.6556

Activities

No activities found for this compound.

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

No literature references available for this target.

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