Detailed information for compound 884200

Basic information

Technical information
  • TDR Targets ID: 884200
  • Name: N-(1,3-benzodioxol-5-yl)-4-butylbenzenesulfon amide
  • MW: 333.402 | Formula: C17H19NO4S
  • H donors: 1 H acceptors: 2 LogP: 4.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)OCO2
  • InChi: 1S/C17H19NO4S/c1-2-3-4-13-5-8-15(9-6-13)23(19,20)18-14-7-10-16-17(11-14)22-12-21-16/h5-11,18H,2-4,12H2,1H3
  • InChiKey: FHFGEWABTUVWBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-yl)-4-butyl-benzenesulfonamide

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
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0049 0.0705 0.0671
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0049 0.0705 0.078
Echinococcus multilocularis expressed protein 0.039 0.8598 1
Schistosoma mansoni jumonji domain containing protein 0.0079 0.1407 0.1376
Plasmodium falciparum glutathione reductase 0.0049 0.0705 0.1667
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0295 0.0302
Echinococcus granulosus zinc finger protein 0.002 0.0046 0.0012
Echinococcus granulosus thioredoxin glutathione reductase 0.0142 0.2851 0.3287
Echinococcus multilocularis thioredoxin glutathione reductase 0.0142 0.2851 0.3287
Brugia malayi Bromodomain containing protein 0.0033 0.0335 0.0654
Brugia malayi Pre-SET motif family protein 0.0031 0.0295 0.0565
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0707 0.0673
Loa Loa (eye worm) RGS-3 protein 0.002 0.0036 0.0079
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.0705 0.5
Loa Loa (eye worm) PXA domain-containing protein 0.002 0.0036 0.0079
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0268 0.0271
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.002 0.0044 0.0095
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.1857 0.5399
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.1857 0.5399
Schistosoma mansoni hypothetical protein 0.003 0.0278 0.0242
Mycobacterium tuberculosis Probable reductase 0.0322 0.7022 0.8837
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0707 0.0673
Brugia malayi Thioredoxin reductase 0.0141 0.2839 0.6134
Plasmodium vivax thioredoxin reductase, putative 0.0141 0.2839 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0049 0.0705 0.078
Brugia malayi MH2 domain containing protein 0.0125 0.2459 0.5304
Mycobacterium tuberculosis Probable oxidoreductase 0.0358 0.7854 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0322 0.7022 0.8837
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0442 0.0473
Giardia lamblia NADH oxidase lateral transfer candidate 0.0049 0.0705 0.2703
Brugia malayi Bromodomain containing protein 0.0078 0.1386 0.2955
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0079
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0442 0.0473
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0295 0.0259
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.1857 0.2126
Loa Loa (eye worm) hypothetical protein 0.0045 0.0604 0.1312
Brugia malayi Pre-SET motif family protein 0.0218 0.4605 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0049 0.0705 0.1667
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0553 0.1074
Echinococcus granulosus expressed protein 0.039 0.8598 1
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0044 0.0007
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0472 0.0509
Echinococcus granulosus peregrin 0.0033 0.0335 0.0349
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1857 0.3458
Loa Loa (eye worm) hypothetical protein 0.0042 0.0553 0.1201
Echinococcus multilocularis geminin 0.0365 0.7999 0.93
Toxoplasma gondii NADPH-glutathione reductase 0.0049 0.0705 0.1667
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0118 0.0082
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0079
Schistosoma mansoni kinase 0.005 0.0734 0.07
Echinococcus multilocularis peregrin 0.0033 0.0335 0.0349
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.1857 0.2126
Plasmodium falciparum glutathione reductase 0.0141 0.2839 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0049 0.0705 0.1463
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0141 0.2839 0.2985
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0118 0.0095
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0079
Schistosoma mansoni hypothetical protein 0.0365 0.7999 0.7991
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0044 0.0007
Schistosoma mansoni hypothetical protein 0.0042 0.0553 0.0518
Trichomonas vaginalis glutathione reductase, putative 0.0049 0.0705 0.1269
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.1857 0.3985
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0322 0.7022 0.8837
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0553 0.1131
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.1857 0.1827
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0554 0.0604
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0554 0.0604
Brugia malayi hypothetical protein 0.0077 0.1362 0.2901
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0049 0.0705 0.1667
Plasmodium falciparum thioredoxin reductase 0.0141 0.2839 1
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0044 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0472 0.0438
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1857 0.3458
Entamoeba histolytica hypothetical protein 0.0077 0.1362 0.7281
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0358 0.7854 1
Trichomonas vaginalis set domain proteins, putative 0.0248 0.53 1
Entamoeba histolytica hypothetical protein 0.0077 0.1362 0.7281
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0036 0.0404 0.0805
Loa Loa (eye worm) hypothetical protein 0.003 0.0278 0.0603
Echinococcus multilocularis zinc finger protein 0.002 0.0046 0.0012
Onchocerca volvulus 0.0248 0.53 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1016 0.1145
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.1857 0.3144
Loa Loa (eye worm) hypothetical protein 0.0043 0.0558 0.1211
Loa Loa (eye worm) hypothetical protein 0.0052 0.0781 0.1697
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0703 0.1267
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0553 0.1131
Toxoplasma gondii thioredoxin reductase 0.0141 0.2839 1
Brugia malayi Bromodomain containing protein 0.004 0.0499 0.1012
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.1362 0.1548
Echinococcus multilocularis beta adrenergic receptor kinase 0.002 0.0044 0.0009
Trypanosoma brucei trypanothione reductase 0.0141 0.2839 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.1882 0.2155
Brugia malayi hypothetical protein 0.0038 0.0458 0.0923
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0358 0.7854 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0707 0.1535
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1857 0.3458
Plasmodium vivax glutathione reductase, putative 0.0141 0.2839 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0707 0.0783
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.1362 0.1548
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.4605 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0049 0.0705 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0049 0.0705 0.1269
Echinococcus granulosus beta-adrenergic receptor kinase 0.002 0.0044 0.0009
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1857 0.3458
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0295 0.0066
Schistosoma mansoni zinc finger protein 0.002 0.0046 0.001
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0049 0.0705 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0278 0.0242
Trypanosoma cruzi trypanothione reductase, putative 0.0141 0.2839 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.002 0.0044 0.0016
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0322 0.7022 0.8837
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0553 0.1131
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.1857 0.5399
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0553 0.1074
Onchocerca volvulus 0.0031 0.0295 0.0034
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0049 0.0705 0.1667
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0042 0.0553 0.1074
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0426 0.0455
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1857 0.3458
Loa Loa (eye worm) hypothetical protein 0.004 0.0501 0.1087
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0079
Brugia malayi jmjC domain containing protein 0.01 0.1882 0.4039
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0049 0.0705 0.1667
Echinococcus granulosus geminin 0.0365 0.7999 0.93
Plasmodium vivax SET domain protein, putative 0.0031 0.0295 0.0066
Treponema pallidum NADH oxidase 0.0049 0.0705 0.5
Schistosoma mansoni hypothetical protein 0.0022 0.0072 0.0036
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0278 0.0282
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1857 0.3458
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0553 0.0603
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0295 0.0259
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0322 0.7022 0.8837
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0036 0.0404 0.0805
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.1882 0.2155
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.1857 0.4032
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0472 0.1026
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0703 0.1267
Entamoeba histolytica hypothetical protein 0.0077 0.1362 0.7281
Plasmodium falciparum thioredoxin reductase 0.0049 0.0705 0.1667
Brugia malayi PHD-finger family protein 0.0026 0.0175 0.0304
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0049 0.0705 0.5
Brugia malayi glutathione reductase 0.0141 0.2839 0.6134
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0472 0.0438
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0707 0.0783
Loa Loa (eye worm) glutathione reductase 0.0141 0.2839 0.6164
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0049 0.0705 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.1362 0.133
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.0705 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1857 0.3458
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0079
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0278 0.0282
Mycobacterium tuberculosis Probable dehydrogenase 0.0322 0.7022 0.8837
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.2459 0.5341
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0079
Brugia malayi hypothetical protein 0.0038 0.0458 0.0923
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0049 0.0705 0.1667
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.1362 0.133
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.1857 1
Brugia malayi PHD-finger family protein 0.003 0.0278 0.0528
Trypanosoma brucei polo-like protein kinase 0.0099 0.1857 0.5399
Giardia lamblia Kinase, PLK 0.0099 0.1857 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.002 0.0036 0.0079
Entamoeba histolytica hypothetical protein 0.0077 0.1362 0.7281
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0072 0.0156
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1016 0.1145
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.1028 0.2233
Schistosoma mansoni hypothetical protein 0.0365 0.7999 0.7991
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0118 0.0095
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0278 0.0603
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0358 0.7854 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1283 0.2786
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.2459 0.5341
Brugia malayi jmjC domain containing protein 0.0039 0.0472 0.0954
Loa Loa (eye worm) thioredoxin reductase 0.0141 0.2839 0.6164
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.002 0.0044 0.0095
Leishmania major trypanothione reductase 0.0141 0.2839 1
Schistosoma mansoni bromodomain containing protein 0.0066 0.1103 0.107

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.
 
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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