Detailed information for compound 629139

Basic information

Technical information
  • TDR Targets ID: 629139
  • Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(1,3-dioxo isoindol-4-yl)benzamide
  • MW: 461.488 | Formula: C21H23N3O7S
  • H donors: 2 H acceptors: 5 LogP: 0.96 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc2c1C(=O)NC2=O)CCOC
  • InChi: 1S/C21H23N3O7S/c1-30-12-10-24(11-13-31-2)32(28,29)15-8-6-14(7-9-15)19(25)22-17-5-3-4-16-18(17)21(27)23-20(16)26/h3-9H,10-13H2,1-2H3,(H,22,25)(H,23,26,27)
  • InChiKey: ZKITWJXXYOJEFD-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[bis(2-methoxyethyl)sulfamoyl]-N-(1,3-dioxoisoindolin-4-yl)benzamide
  • 4-[bis(2-methoxyethyl)sulfamoyl]-N-(1,3-dioxo-4-isoindolinyl)benzamide
  • 4-[bis(2-methoxyethyl)sulfamoyl]-N-(1,3-diketoisoindolin-4-yl)benzamide
  • T0504-5837
  • ZINC03200948

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
Plasmodium falciparum pyruvate kinase 0.0066 0.0955 0.7738
Echinococcus granulosus dna polymerase kappa 0.0019 0.0107 0.0066
Echinococcus granulosus pyruvate kinase 0.0034 0.0374 0.0389
Plasmodium falciparum histone acetyltransferase GCN5 0.0081 0.1218 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0107 0.0114
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.2438 0.2931
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.2438 0.2931
Schistosoma mansoni transcription factor LCR-F1 0.0145 0.237 0.4531
Echinococcus multilocularis pyruvate kinase 0.0034 0.0374 0.0389
Entamoeba histolytica hypothetical protein 0.0145 0.237 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0088 0.135 0.8181
Schistosoma mansoni DNA polymerase eta 0.0019 0.0107 0.0106
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1683 0.1638
Echinococcus multilocularis pyruvate kinase 0.0034 0.0374 0.0389
Entamoeba histolytica hypothetical protein 0.0145 0.237 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0608 0.0674
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1683 0.1638
Plasmodium vivax pyruvate kinase 2, putative 0.0034 0.0374 0.2471
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0608 0.0674
Loa Loa (eye worm) hypothetical protein 0.0472 0.8287 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0608 0.072
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0104 0.1639 0.1594
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Mycobacterium ulcerans hypothetical protein 0.0104 0.1639 0.1594
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0583 0.0689
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.15 0.1798
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0053 0.0559
Giardia lamblia Pyruvate kinase 0.0066 0.0955 0.7738
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0088 0.135 0.3303
Brugia malayi acetyltransferase, GNAT family protein 0.0299 0.5165 0.6226
Onchocerca volvulus 0.0096 0.15 0.3274
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1683 0.1638
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0088 0.135 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0274 0.0268
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0583 0.0643
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0583 0.1036
Echinococcus granulosus dna polymerase eta 0.0019 0.0107 0.0066
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0293 0.1513
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0107 0.0114
Trichomonas vaginalis bromodomain-containing protein, putative 0.0088 0.135 0.3303
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0053 0.0559
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0299 0.5165 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0293 0.0469
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1897 0.1854
Trypanosoma brucei pyruvate kinase 1 0.0066 0.0955 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0107 0.0114
Echinococcus granulosus survival motor neuron protein 1 0.0472 0.8287 1
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.1591 0.1907
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0604 0.6107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0583 0.0643
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1897 0.1042
Chlamydia trachomatis pyruvate kinase 0.0066 0.0955 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0583 0.0643
Schistosoma mansoni hypothetical protein 0.0101 0.1591 0.3009
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0293 0.0291
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Trypanosoma cruzi pyruvate kinase 2, putative 0.0066 0.0955 1
Mycobacterium tuberculosis Probable reductase 0.0106 0.1683 0.1638
Schistosoma mansoni hypothetical protein 0.0047 0.0608 0.1086
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0567 1 1
Mycobacterium ulcerans pyruvate kinase 0.0066 0.0955 0.0906
Plasmodium falciparum glutathione reductase 0.0047 0.0604 0.4725
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0107 0.0054
Trypanosoma brucei pyruvate kinase 1, putative 0.0066 0.0955 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0107 0.06
Echinococcus multilocularis survival motor neuron protein 1 0.0472 0.8287 1
Schistosoma mansoni hypothetical protein 0.0145 0.237 0.4531
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0107 0.1125
Brugia malayi Pyruvate kinase, M2 isozyme 0.0066 0.0955 0.1138
Echinococcus granulosus pyruvate kinase 0.0066 0.0955 0.1095
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0107 0.06
Plasmodium vivax pyruvate kinase, putative 0.0066 0.0955 0.6948
Echinococcus granulosus histone acetyltransferase KAT2B 0.0088 0.135 0.1575
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0107 0.0138
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0053 0.0559
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1683 0.1638
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0608 0.0674
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.3469 0.4176
Trichomonas vaginalis set domain proteins, putative 0.0234 0.3981 1
Entamoeba histolytica pyruvate kinase, putative 0.0046 0.0594 0.2149
Echinococcus multilocularis dna polymerase eta 0.0019 0.0107 0.0066
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0053 0.0049
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0604 0.0553
Leishmania major DNA polymerase eta, putative 0.0019 0.0107 0.06
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0293 0.0469
Toxoplasma gondii pyruvate kinase PyKII 0.0034 0.0374 0.2022
Brugia malayi hypothetical protein 0.0145 0.237 0.2848
Loa Loa (eye worm) pyruvate kinase-PB 0.0046 0.0594 0.0702
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0053 0.0559
Brugia malayi Pre-SET motif family protein 0.0205 0.3469 0.4176
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0107 0.0066
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0107 0.06
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1897 0.1854
Echinococcus multilocularis pyruvate kinase 0.0066 0.0955 0.1095
Giardia lamblia DINP protein human, muc B family 0.0019 0.0107 0.0464
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0107 0.0106
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0604 0.0714
Entamoeba histolytica acetyltransferase, GNAT family 0.0081 0.1218 0.491
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0604 0.0668
Trypanosoma brucei trypanothione reductase 0.0047 0.0604 0.6324
Leishmania major pyruvate kinase 0.0066 0.0955 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1591 0.1907
Trypanosoma brucei unspecified product 0.0019 0.0107 0.1125
Schistosoma mansoni hypothetical protein 0.0047 0.0608 0.1086
Schistosoma mansoni hypothetical protein 0.0047 0.0608 0.1086
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0107 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Schistosoma mansoni pyruvate kinase 0.0034 0.0374 0.0627
Echinococcus multilocularis pyruvate kinase 0.0066 0.0955 0.1095
Loa Loa (eye worm) pyruvate kinase 0.0066 0.0955 0.1138
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0107 0.06
Brugia malayi glutathione reductase 0.0047 0.0604 0.0714
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0107 0.1125
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.2438 0.2931
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0583 0.1036
Loa Loa (eye worm) glutathione reductase 0.0047 0.0604 0.0714
Echinococcus multilocularis pyruvate kinase 0.0034 0.0374 0.0389
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0107 0.0066
Echinococcus granulosus pyruvate kinase 0.0066 0.0955 0.1095
Plasmodium vivax glutathione reductase, putative 0.0047 0.0604 0.4243
Loa Loa (eye worm) pyruvate kinase 0.0066 0.0955 0.1138
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0107 0.0114
Plasmodium falciparum pyruvate kinase 2 0.0034 0.0374 0.2752
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0583 0.0689
Leishmania major DNA polymerase kappa, putative 0.0019 0.0107 0.06
Brugia malayi Pyruvate kinase, muscle isozyme 0.0066 0.0955 0.1138
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0107 0.0054
Onchocerca volvulus Pyruvate kinase homolog 0.0066 0.0955 0.1794
Schistosoma mansoni hypothetical protein 0.0047 0.0608 0.1086
Loa Loa (eye worm) pyruvate kinase 0.0066 0.0955 0.1138
Echinococcus multilocularis GPCR, family 2 0.0047 0.0608 0.0674
Giardia lamblia Pyruvate kinase 0.0034 0.0374 0.2752
Treponema pallidum licC protein (licC) 0.0104 0.1639 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0293 0.0469
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1683 0.1638
Leishmania major trypanothione reductase 0.0047 0.0604 0.6107
Schistosoma mansoni pyruvate kinase 0.0066 0.0955 0.1763
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0604 0.0668
Brugia malayi Pre-SET motif family protein 0.0029 0.0293 0.0339
Toxoplasma gondii thioredoxin reductase 0.0047 0.0604 0.3471
Giardia lamblia Histone acetyltransferase GCN5 0.0081 0.1218 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0299 0.5165 0.6208
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0293 0.0291
Entamoeba histolytica hypothetical protein 0.0145 0.237 1
Echinococcus multilocularis pyruvate kinase 0.0052 0.0703 0.0789
Schistosoma mansoni hypothetical protein 0.0096 0.15 0.2831
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0107 0.0066
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0293 0.0291
Schistosoma mansoni survival motor neuron protein 0.0096 0.15 0.2831
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0604 0.4243
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0107 0.1125
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0145 0.237 0.2813
Echinococcus granulosus pyruvate kinase 0.0034 0.0374 0.0389
Loa Loa (eye worm) acetyltransferase 0.0299 0.5165 0.6226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0583 0.0643
Brugia malayi Thioredoxin reductase 0.0047 0.0604 0.0714
Toxoplasma gondii pyruvate kinase PyK1 0.0066 0.0955 0.5684
Onchocerca volvulus 0.0234 0.3981 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0107 0.0106
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0066 0.0955 0.0906
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0107 0.0138
Brugia malayi hypothetical protein 0.0472 0.8287 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0608 0.072
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0293 0.0469
Loa Loa (eye worm) hypothetical protein 0.0029 0.0293 0.0339
Loa Loa (eye worm) hypothetical protein 0.0066 0.0955 0.1138
Onchocerca volvulus Pyruvate kinase homolog 0.0066 0.0955 0.1794
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.002 0.0122 0.0133
Plasmodium vivax SET domain protein, putative 0.0029 0.0293 0.1849
Echinococcus granulosus GPCR family 2 0.0047 0.0608 0.0674
Loa Loa (eye worm) hypothetical protein 0.0148 0.2438 0.2931
Trichomonas vaginalis pyruvate kinase, putative 0.0066 0.0955 0.2295
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1897 0.1854
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0608 0.0674
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0608 0.072
Schistosoma mansoni pyruvate kinase 0.0066 0.0955 0.1763
Echinococcus granulosus pyruvate kinase 0.0034 0.0374 0.0389
Leishmania major pyruvate kinase 0.0066 0.0955 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.0604 0.4725
Trypanosoma cruzi pyruvate kinase 2, putative 0.0066 0.0955 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0107 0.1125
Entamoeba histolytica hypothetical protein 0.0145 0.237 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0104 0.1639 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0107 0.0054
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0088 0.135 0.8181
Mycobacterium ulcerans hypothetical protein 0.0104 0.1639 0.1594
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0145 0.237 0.2813
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.1683 0.0805
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0583 0.1036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0608 0.072
Mycobacterium tuberculosis Conserved hypothetical protein 0.0104 0.1639 0.1594
Mycobacterium tuberculosis Conserved hypothetical protein 0.0104 0.1639 0.1594
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0107 0.1125
Echinococcus granulosus histone acetyltransferase KAT2B 0.0291 0.5013 0.6024
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0107 0.06
Loa Loa (eye worm) hypothetical protein 0.0046 0.0594 0.0702
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0107 0.06
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0567 1 1
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0567 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0066 0.0955 0.2295
Onchocerca volvulus Pyruvate kinase homolog 0.0066 0.0955 0.1794

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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