Detailed information for compound 1038207

Basic information

Technical information
  • TDR Targets ID: 1038207
  • Name: (2-ethoxy-2-oxoethyl)carbamoyloxymethyl 2-[2- [(2,6-dichlorophenyl)amino]phenyl]acetate
  • MW: 455.289 | Formula: C20H20Cl2N2O6
  • H donors: 2 H acceptors: 3 LogP: 4.61 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CNC(=O)OCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
  • InChi: 1S/C20H20Cl2N2O6/c1-2-28-18(26)11-23-20(27)30-12-29-17(25)10-13-6-3-4-9-16(13)24-19-14(21)7-5-8-15(19)22/h3-9,24H,2,10-12H2,1H3,(H,23,27)
  • InChiKey: KBNYYVMYOGJLGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-ethoxy-2-oxo-ethyl)carbamoyloxymethyl 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate
  • 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid [[(2-ethoxy-2-oxoethyl)amino]-oxomethoxy]methyl ester
  • 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid (2-ethoxy-2-keto-ethyl)carbamoyloxymethyl ester
  • (2-ethoxy-2-oxo-ethyl)carbamoyloxymethyl 2-[2-[(2,6-dichlorophenyl)amino]phenyl]ethanoate

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
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0048 0.1051 0.1274
Echinococcus granulosus thymidylate kinase 0.0077 0.1915 0.1836
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.003 0.0517 0.0562
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0758 0.0883
Giardia lamblia GTOR 0.0048 0.1051 0.1191
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0569 0.0477
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.016 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0464 0.0612
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0166 0.0071
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.012 0.0033
Schistosoma mansoni ap endonuclease 0.0018 0.0166 0.0071
Schistosoma mansoni ap endonuclease 0.0018 0.0166 0.0071
Trypanosoma cruzi ISWI complex protein 0.0016 0.0104 0.001
Trichomonas vaginalis thymidine kinase, putative 0.0266 0.759 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0048 0.1051 0.1274
Schistosoma mansoni thymidylate kinase 0.0077 0.1915 0.1836
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0048 0.1051 0.1274
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.0023
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1018 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0757 0.0997
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0048 0.1051 0.0964
Entamoeba histolytica hypothetical protein 0.0038 0.0764 0.0805
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0389 0.0512
Entamoeba histolytica hypothetical protein 0.0038 0.0764 0.0805
Plasmodium vivax SET domain protein, putative 0.0032 0.0569 0.2501
Trypanosoma cruzi thymidylate kinase, putative 0.0077 0.1915 0.2427
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0048 0.1051 0.0964
Trypanosoma brucei thymidylate kinase, putative 0.0077 0.1915 0.2427
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.005 0.1113 0.1027
Plasmodium vivax thymidylate kinase, putative 0.0077 0.1915 1
Schistosoma mansoni hypothetical protein 0.0347 1 1
Trichomonas vaginalis thymidine kinase, putative 0.0266 0.759 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0841 0.1052
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0764 0.0675
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0179 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.039 0.0514
Chlamydia trachomatis thymidylate kinase 0.0077 0.1915 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0166 0.0094
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0764 0.0675
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0048 0.1051 0.1274
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1558 0.1476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1018 0.093
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.0758 0.0883
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0048 0.1051 0.1274
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.012 0.0031
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.0023
Schistosoma mansoni hypothetical protein 0.0051 0.1156 0.107
Trichomonas vaginalis set domain proteins, putative 0.0253 0.7184 0.9465
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1558 0.1476
Loa Loa (eye worm) phosphatidylinositol 3 0.0048 0.1051 0.1349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.1113 0.1027
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1018 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0683 0.09
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0757 0.0997
Brugia malayi TAR-binding protein 0.0065 0.1558 0.2066
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.0023
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0077 0.1915 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0757 0.0997
Brugia malayi PHD-finger family protein 0.0027 0.0411 0.0444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0683 0.09
Schistosoma mansoni survival motor neuron protein 0.0051 0.1156 0.107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0096 0.0127
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0274 0.0251
Leishmania major thymidylate kinase-like protein 0.0077 0.1915 0.2427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0683 0.09
Treponema pallidum thymidylate kinase (tmk) 0.0077 0.1915 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.016 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0473 0.0623
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0077 0.1915 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.1113 0.1438
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0166 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0473 0.0623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0683 0.09
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0166 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.039 0.0514
Trypanosoma cruzi thymidine kinase, putative 0.0266 0.759 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1018 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0757 0.0997
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0096 0.0127
Echinococcus granulosus tar DNA binding protein 0.0065 0.1558 0.1476
Trichomonas vaginalis thymidylate kinase, putative 0.0077 0.1915 0.2523
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0048 0.1051 0.1274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0096 0.0127
Loa Loa (eye worm) hypothetical protein 0.0046 0.0977 0.1246
Brugia malayi Pre-SET motif family protein 0.0032 0.0569 0.0668
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.6265 0.872
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0533 0.0441
Brugia malayi thymidylate kinase 0.0077 0.1915 0.257
Loa Loa (eye worm) hypothetical protein 0.0043 0.0916 0.1159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0547 0.0721
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1558 0.2066
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0166 0.0261
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0841 0.1108
Loa Loa (eye worm) RNA binding protein 0.0065 0.1558 0.2066
Trypanosoma brucei thymidine kinase 0.0266 0.759 1
Schistosoma mansoni hypothetical protein 0.0022 0.0274 0.0179
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0166 0.0099
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.7171 0.7143
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0166 0.0071
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.016 0.0064
Entamoeba histolytica Thymidylate kinase, putative 0.0077 0.1915 0.2355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.039 0.0514
Brugia malayi hypothetical protein 0.0038 0.0764 0.0944
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0166 0.0261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1051 0.1384
Leishmania major hypothetical protein, conserved 0.0016 0.0104 0.001
Brugia malayi Bromodomain containing protein 0.0041 0.0839 0.1049
Schistosoma mansoni hypothetical protein 0.0055 0.1267 0.1182
Schistosoma mansoni hypothetical protein 0.0016 0.0104 0.0007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1018 0.1302
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.012 0.0031
Brugia malayi isocitrate dehydrogenase 0.0017 0.012 0.0033
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.1522 0.144
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0569 0.0477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.039 0.0514
Trypanosoma brucei ISWI complex protein 0.0016 0.0104 0.001
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0166 0.0219
Onchocerca volvulus Putative thymidylate kinase 0.0077 0.1915 0.2035
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1558 0.1476
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0335 0.0241
Trypanosoma cruzi ISWI complex protein 0.0016 0.0104 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0683 0.09
Trichomonas vaginalis thymidylate kinase, putative 0.0077 0.1915 0.2523
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.012 0.0031
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0048 0.1051 0.1191
Entamoeba histolytica hypothetical protein 0.0038 0.0764 0.0805
Leishmania major thymidine kinase, putative 0.0266 0.759 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1558 0.2066
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0077 0.1915 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0473 0.0623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0464 0.0612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0096 0.0127
Echinococcus multilocularis thymidylate kinase 0.0077 0.1915 0.1836
Trichomonas vaginalis thymidine kinase, putative 0.0266 0.759 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1156 0.1498
Giardia lamblia CDC8 0.0077 0.1915 0.2355
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.016 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1558 0.1476
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1018 0.093
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0166 0.0261
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0211 0.0153
Loa Loa (eye worm) hypothetical protein 0.0252 0.7171 1
Trypanosoma brucei thymidylate kinase, putative 0.0077 0.1915 0.2427
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.1522 0.144
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0048 0.1051 0.1349
Echinococcus granulosus zinc finger protein 0.0021 0.024 0.0145
Schistosoma mansoni bromodomain containing protein 0.0068 0.1637 0.1555
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0683 0.3137
Toxoplasma gondii exonuclease III APE 0.0018 0.0166 0.0261
Leishmania major hypothetical protein, conserved 0.003 0.0517 0.0562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0389 0.0512
Mycobacterium ulcerans thymidylate kinase 0.0077 0.1915 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0569 0.2501
Brugia malayi Pre-SET motif family protein 0.0222 0.6265 0.872
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0166 0.0094
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.003 0.0517 0.0562
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0763 0.0673
Schistosoma mansoni zinc finger protein 0.0016 0.0104 0.0007
Echinococcus multilocularis geminin 0.0347 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0166 0.0094
Entamoeba histolytica thymidine kinase, putative 0.0266 0.759 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1018 0.093
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1558 0.1476
Schistosoma mansoni hypothetical protein 0.0077 0.1915 0.1836
Schistosoma mansoni zinc finger protein 0.0021 0.024 0.0145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0096 0.0127
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0569 0.0477
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1558 0.2066
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1018 0.1302
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1558 0.1476
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.012 0.0031
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.012 0.0023
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0166 0.0219
Onchocerca volvulus 0.0253 0.7184 1
Entamoeba histolytica hypothetical protein 0.0038 0.0764 0.0805
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1018 0.093
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.0758 0.0883
Echinococcus multilocularis zinc finger protein 0.0021 0.024 0.0145
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0763 0.0673
Trypanosoma cruzi thymidylate kinase, putative 0.0077 0.1915 0.2427
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.7171 0.7143
Loa Loa (eye worm) hypothetical protein 0.0075 0.1875 0.2514
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1051 0.1384
Loa Loa (eye worm) thymidylate kinase 0.0077 0.1915 0.257
Plasmodium falciparum thymidylate kinase 0.0077 0.1915 1
Brugia malayi RNA binding protein 0.0065 0.1558 0.2066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0683 0.09
Schistosoma mansoni hypothetical protein 0.0038 0.0764 0.0675
Brugia malayi Isocitrate dehydrogenase 0.0017 0.012 0.0033
Brugia malayi Bromodomain containing protein 0.008 0.2011 0.2707
Schistosoma mansoni hypothetical protein 0.0347 1 1
Toxoplasma gondii thymidylate kinase 0.0077 0.1915 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0294 0.0264
Giardia lamblia Thymidine kinase 0.0266 0.759 1
Brugia malayi follicle stimulating hormone receptor 0.025 0.7091 0.9888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0757 0.0997
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.012 0.0031
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0335 0.0241
Brugia malayi hypothetical protein 0.0252 0.7171 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0335 0.0241
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.012 0.0023
Trypanosoma cruzi thymidine kinase, putative 0.0266 0.759 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0389 0.0512
Echinococcus granulosus histone lysine methyltransferase setb 0.005 0.1113 0.1027
Onchocerca volvulus 0.0051 0.1156 0.0888
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.012 0.0023
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0764 0.0675
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.1113 0.1027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1051 0.1384
Schistosoma mansoni thymidylate kinase 0.0077 0.1915 0.1836
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0048 0.1051 0.1191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0578 0.0761
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0683 0.09
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0048 0.1051 0.0964
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.7091 0.9888

Activities

Activity type Activity value Assay description Source Reference
T1/2 (ADMET) = 4.17 min Half life in human plasma ChEMBL. 19398207

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

No literature references available for this target.

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