Detailed information for compound 883649

Basic information

Technical information
  • TDR Targets ID: 883649
  • Name: N-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylbu tan-2-yl)benzenesulfonamide
  • MW: 377.498 | Formula: C20H27NO4S
  • H donors: 1 H acceptors: 2 LogP: 4.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccc(cc1)S(=O)(=O)NCc1cc(OC)cc(c1)OC)(C)C
  • InChi: 1S/C20H27NO4S/c1-6-20(2,3)16-7-9-19(10-8-16)26(22,23)21-14-15-11-17(24-4)13-18(12-15)25-5/h7-13,21H,6,14H2,1-5H3
  • InChiKey: LNBSIRSTFZCWEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3,5-dimethoxyphenyl)methyl]-4-(1,1-dimethylpropyl)benzenesulfonamide
  • 4-tert-amyl-N-(3,5-dimethoxybenzyl)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
Echinococcus granulosus geminin 0.0331 0.456 0.4542
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0145 0.0453
Loa Loa (eye worm) hypothetical protein 0.0099 0.1228 0.1194
Trypanosoma cruzi lanosterol synthase, putative 0.0189 0.2533 0.4284
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0522 0.0485
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0262 0.0229
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0082 0.5
Schistosoma mansoni hypothetical protein 0.0303 0.4167 0.4148
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0257 0.0224
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0082 0.0073
Schistosoma mansoni hypothetical protein 0.0031 0.0262 0.0229
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0082 0.027
Brugia malayi hypothetical protein 0.0036 0.0326 0.0288
Leishmania major sterol 24-c-methyltransferase, putative 0.0208 0.2797 0.4737
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0083 0.0045
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0222 0.0189
Plasmodium vivax SET domain protein, putative 0.0031 0.0257 1
Entamoeba histolytica hypothetical protein 0.0036 0.0326 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0039 0.0006
Loa Loa (eye worm) hypothetical protein 0.0421 0.5861 0.5845
Brugia malayi RNA, U transporter 1 0.0081 0.0974 0.0938
Toxoplasma gondii exonuclease III APE 0.0019 0.0082 0.0319
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0039 0.0006
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0208 0.2797 0.4737
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0114 0.3462
Brugia malayi Cytochrome P450 family protein 0.0026 0.0186 0.0148
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0326 0.0294
Trichomonas vaginalis ran, putative 0.0021 0.0114 0.0358
Onchocerca volvulus 0.0049 0.0522 0.0272
Schistosoma mansoni vesicular acetylcholine transporter 0.071 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0173 0.731
Echinococcus granulosus dnaJ subfamily B 0.0405 0.5632 0.5617
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0082 0.0073
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0114 0.0076
Toxoplasma gondii histone lysine methyltransferase SET1 0.0109 0.1382 1
Schistosoma mansoni ap endonuclease 0.0019 0.0082 0.0049
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2792 0.2764
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0257 0.0224
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0208 0.2797 0.4737
Brugia malayi hypothetical protein 0.0025 0.0173 0.0134
Loa Loa (eye worm) hypothetical protein 0.0031 0.0262 0.0224
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0208 0.2797 0.4737
Entamoeba histolytica hypothetical protein 0.0036 0.0326 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1228 0.1194
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0222 0.0314
Schistosoma mansoni hypothetical protein 0.0031 0.0262 0.0229
Schistosoma mansoni hypothetical protein 0.0331 0.456 0.4542
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0326 0.0294
Schistosoma mansoni hypothetical protein 0.0031 0.0262 0.0229
Entamoeba histolytica hypothetical protein 0.0036 0.0326 1
Brugia malayi CXXC zinc finger family protein 0.0057 0.0634 0.0597
Schistosoma mansoni cpg binding protein 0.0057 0.0634 0.0602
Schistosoma mansoni hypothetical protein 0.0031 0.0262 0.0229
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0082 0.0073
Trypanosoma brucei lanosterol synthase 0.0189 0.2533 0.4284
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0114 0.0081
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0262 0.0229
Entamoeba histolytica Ran family GTPase 0.0021 0.0114 0.1335
Loa Loa (eye worm) hypothetical protein 0.0215 0.2905 0.2877
Echinococcus multilocularis GPCR, family 2 0.0031 0.0262 0.0229
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0208 0.2797 0.4737
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.071 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0039 0.0006
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0114 0.0561
Trypanosoma brucei Sterol methyltransferase, putative 0.0208 0.2797 0.4737
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0039 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0257 0.0224
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0082 0.0256
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0222 0.0314
Loa Loa (eye worm) hypothetical protein 0.0101 0.1268 0.1234
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0173 0.6144
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0114 0.0081
Leishmania major lanosterol synthase, putative 0.0189 0.2533 0.4284
Echinococcus granulosus vesicular acetylcholine transporter 0.071 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0082 0.0043
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0082 0.0073
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1228 0.1194
Echinococcus granulosus snurportin 1 0.0303 0.4167 0.4148
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0421 0.5861 0.5845
Leishmania major sterol 24-c-methyltransferase, putative 0.0208 0.2797 0.4737
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0082 0.0049
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0083 0.005
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0082 0.2337
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0262 0.0224
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0145 0.0453
Schistosoma mansoni ran 0.0021 0.0114 0.0081
Schistosoma mansoni cpg binding protein 0.006 0.068 0.0649
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.4167 0.4144
Trichomonas vaginalis set domain proteins, putative 0.0236 0.3201 1
Echinococcus granulosus GPCR family 2 0.0031 0.0262 0.0229
Schistosoma mansoni hypothetical protein 0.0049 0.0522 0.049
Brugia malayi Pre-SET motif family protein 0.0031 0.0257 0.0219
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0114 0.4119
Schistosoma mansoni ran 0.0021 0.0114 0.0081
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0082 0.0043
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0173 0.0996
Onchocerca volvulus 0.0057 0.0634 0.0387
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0173 0.023
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0083 0.005
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0173 0.023
Loa Loa (eye worm) hypothetical protein 0.0028 0.0222 0.0184
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0114 0.0076
Echinococcus granulosus cpg binding protein 0.006 0.068 0.0649
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0257 0.0224
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0262 0.0224
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0257 0.0224
Echinococcus multilocularis vesicular acetylcholine transporter 0.071 1 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0126 0.1622 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0421 0.5861 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1228 0.1194
Loa Loa (eye worm) hypothetical protein 0.0025 0.0173 0.0134
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0082 0.0256
Brugia malayi hypothetical protein 0.0242 0.3283 0.3256
Loa Loa (eye worm) hypothetical protein 0.0031 0.0257 0.0219
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.008 0.0041
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0114 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.071 1 1
Schistosoma mansoni cpg binding protein 0.006 0.068 0.0649
Echinococcus granulosus importin subunit beta 1 0.0028 0.0222 0.0189
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0186 0.0148
Trypanosoma cruzi lanosterol synthase, putative 0.0189 0.2533 0.4284
Loa Loa (eye worm) hypothetical protein 0.0242 0.3283 0.3256
Onchocerca volvulus 0.0236 0.3201 0.3022
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0114 0.0129
Schistosoma mansoni hypothetical protein 0.0331 0.456 0.4542
Schistosoma mansoni hypothetical protein 0.0036 0.0326 0.0294
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0108 0.137 0.2285
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0262 0.0229
Echinococcus multilocularis snurportin 1 0.0303 0.4167 0.4148
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0262 0.0224
Loa Loa (eye worm) hypothetical protein 0.0067 0.0781 0.0745
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0257 0.1622
Brugia malayi Pre-SET motif family protein 0.0207 0.2792 0.2764
Schistosoma mansoni hypothetical protein 0.0067 0.0781 0.075
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0114 0.0129
Entamoeba histolytica hypothetical protein 0.0023 0.0145 0.2586
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0222 0.1363
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0781 0.0745
Leishmania major hypothetical protein, conserved 0.0025 0.0173 0.023
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0114 0.0129
Schistosoma mansoni hypothetical protein 0.0405 0.5632 0.5617
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0208 0.2797 0.4737
Plasmodium vivax importin-beta 2, putative 0.0028 0.0222 0.8406
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0634 0.0597
Brugia malayi hypothetical protein 0.0016 0.0046 0.0007
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0173 0.731
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0082 0.1964
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0257 0.0224
Leishmania major C-8 sterol isomerase-like protein 0.0421 0.5861 1
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.3283 0.326
Echinococcus multilocularis dnaJ subfamily B 0.0405 0.5632 0.5617
Plasmodium falciparum importin beta, putative 0.0028 0.0222 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0122 0.1568 0.1539
Schistosoma mansoni survival motor neuron protein 0.0049 0.0522 0.049
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0082 0.5
Echinococcus multilocularis cpg binding protein 0.006 0.068 0.0649
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0223 0.019
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0039 0.0006
Leishmania major GTP-binding protein, putative 0.0021 0.0114 0.0129
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0082 0.0049
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0262 0.0229
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0082 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0326 1
Brugia malayi Importin beta-1 subunit 0.0028 0.0222 0.0184
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0257 0.0224
Schistosoma mansoni importin beta-1 0.0028 0.0222 0.0189
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0145 0.0453
Trypanosoma brucei C-8 sterol isomerase, putative 0.0421 0.5861 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0039 0.0006
Leishmania major importin beta-1 subunit, putative 0.0023 0.0145 0.0182
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0101 0.1268 0.1234
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0145 0.0182
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.3283 0.326
Echinococcus multilocularis geminin 0.0331 0.456 0.4542
Schistosoma mansoni ap endonuclease 0.0019 0.0082 0.0049
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0326 0.0294
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0039 0.0006
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0173 0.023

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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