Detailed information for compound 881618

Basic information

Technical information
  • TDR Targets ID: 881618
  • Name: ethyl 4-[(4-butoxyphenyl)sulfonylamino]piperi dine-1-carboxylate
  • MW: 384.49 | Formula: C18H28N2O5S
  • H donors: 1 H acceptors: 3 LogP: 2.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)OCC
  • InChi: 1S/C18H28N2O5S/c1-3-5-14-25-16-6-8-17(9-7-16)26(22,23)19-15-10-12-20(13-11-15)18(21)24-4-2/h6-9,15,19H,3-5,10-14H2,1-2H3
  • InChiKey: MFVSCKRMJHCUQZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(4-butoxyphenyl)sulfonylamino]-1-piperidinecarboxylic acid ethyl ester
  • 4-[(4-butoxyphenyl)sulfonylamino]piperidine-1-carboxylic acid ethyl ester

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 family S12 unassigned peptidase (S12 family) 0.0037 0.005 0.0069
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0287 0.0268
Brugia malayi beta-lactamase family protein 0.0037 0.005 0.0376
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.005 0.0376
Schistosoma mansoni survival motor neuron protein 0.0049 0.0129 0.0245
Toxoplasma gondii thymidylate kinase 0.0143 0.0722 0.8064
Schistosoma mansoni hypothetical protein 0.0143 0.0722 0.1577
Onchocerca volvulus 0.0054 0.0157 0.1589
Schistosoma mansoni phosphoglucomutase 0.0067 0.0242 0.0498
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0178 0.0155
Leishmania major ribonuclease H1, putative 0.0067 0.0242 0.0232
Schistosoma mansoni ap endonuclease 0.0057 0.0178 0.0356
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0287 0.0288
Mycobacterium ulcerans thymidylate kinase 0.0143 0.0722 1
Treponema pallidum ribonuclease H (rnhA) 0.0067 0.0242 0.1164
Echinococcus granulosus intermediate filament protein 0.0054 0.0157 0.0308
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0287 0.0288
Loa Loa (eye worm) hypothetical protein 0.0037 0.005 0.0376
Toxoplasma gondii exonuclease III APE 0.0057 0.0178 0.1534
Loa Loa (eye worm) hypothetical protein 0.0037 0.005 0.0376
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.005 0.0376
Trypanosoma brucei thymidine kinase 0.134 0.8274 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0253 0.1889
Schistosoma mansoni hypothetical protein 0.0131 0.0645 0.1403
Schistosoma mansoni hypothetical protein 0.0173 0.0909 0.1997
Schistosoma mansoni inositol monophosphatase 0.0074 0.0287 0.0599
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0057 0.0178 0.1902
Trichomonas vaginalis thymidylate kinase, putative 0.0143 0.0722 0.0817
Leishmania major thymidine kinase, putative 0.134 0.8274 1
Trypanosoma cruzi thymidylate kinase, putative 0.0143 0.0722 0.0817
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0169 0.0884 1
Echinococcus multilocularis geminin 0.0173 0.0909 0.0891
Mycobacterium ulcerans thymidylate synthase 0.012 0.0575 0.7809
Brugia malayi beta-lactamase family protein 0.0037 0.005 0.0376
Schistosoma mansoni lamin 0.0054 0.0157 0.0308
Brugia malayi RNase H family protein 0.0067 0.0242 0.1801
Echinococcus multilocularis transfer RNA-Ile 0.0738 0.4476 0.4465
Schistosoma mansoni phosphoglucomutase 0.0067 0.0242 0.0498
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0057 0.0178 0.1023
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0169 0.0884 1
Onchocerca volvulus 0.0054 0.0157 0.1589
Brugia malayi Dihydrofolate reductase 0.0049 0.0127 0.0948
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0057 0.0178 0.0155
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0138 0.0107
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.0297 0.03
Loa Loa (eye worm) hypothetical protein 0.0101 0.0454 0.3389
Giardia lamblia CDC8 0.0143 0.0722 0.0672
Loa Loa (eye worm) hypothetical protein 0.0051 0.0138 0.103
Schistosoma mansoni hypothetical protein 0.039 0.2277 0.5065
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0287 0.0288
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.012 0.0575 0.7809
Echinococcus multilocularis musashi 0.0054 0.0157 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0108 0.0197
Plasmodium vivax thymidylate kinase, putative 0.0143 0.0722 0.8064
Leishmania major thymidylate kinase-like protein 0.0143 0.0722 0.0817
Schistosoma mansoni ap endonuclease 0.0057 0.0178 0.0356
Loa Loa (eye worm) hypothetical protein 0.0032 0.002 0.0148
Trypanosoma brucei thymidylate kinase, putative 0.0143 0.0722 0.0817
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.0645 0.0627
Echinococcus granulosus lamin 0.0054 0.0157 0.0308
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0287 0.0599
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0179 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0108 0.0197
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0174 0.0346
Echinococcus granulosus thymidine kinase 0.0738 0.4476 1
Brugia malayi thymidylate kinase 0.0143 0.0722 0.5388
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0138 0.1053
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0169 0.0884 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.012 0.0575 0.1246
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0238 0.15
Loa Loa (eye worm) hypothetical protein 0.0241 0.1341 1
Onchocerca volvulus Putative thymidylate kinase 0.0143 0.0722 1
Schistosoma mansoni hypothetical protein 0.0049 0.0129 0.0245
Onchocerca volvulus 0.012 0.0575 0.7809
Trichomonas vaginalis thymidine kinase, putative 0.134 0.8274 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0129 0.0963
Echinococcus multilocularis dihydrofolate reductase 0.0049 0.0127 0.0108
Brugia malayi dihydrofolate reductase family protein 0.0049 0.0127 0.0948
Echinococcus multilocularis lamin 0.0054 0.0157 0.0138
Leishmania major hypothetical protein, conserved 0.0056 0.0173 0.015
Giardia lamblia Thymidine kinase 0.134 0.8274 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0157 0.1172
Loa Loa (eye worm) thymidylate synthase 0.012 0.0575 0.429
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.012 0.0575 0.4202
Echinococcus granulosus thymidine kinase 0.0738 0.4476 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0108 0.0197
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0178 0.1534
Brugia malayi hypothetical protein 0.0037 0.005 0.0375
Trichomonas vaginalis thymidylate kinase, putative 0.0143 0.0722 0.0817
Echinococcus granulosus ribonuclease H1 0.0067 0.0242 0.0498
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0178 0.0538
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.0287 0.2837
Schistosoma mansoni thymidylate kinase 0.0143 0.0722 0.1577
Leishmania major hypothetical protein, conserved 0.0051 0.0138 0.0107
Echinococcus multilocularis thyroid hormone receptor alpha 0.0142 0.0712 0.0693
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0287 0.0288
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1299 1
Schistosoma mansoni dihydrofolate reductase 0.0049 0.0127 0.0241
Schistosoma mansoni inositol monophosphatase 0.0074 0.0287 0.0599
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.0645 0.1403
Trypanosoma brucei unspecified product 0.0076 0.0297 0.03
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0056 0.0173 0.015
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0066 0.0238 0.2788
Echinococcus granulosus geminin 0.0173 0.0909 0.1997
Schistosoma mansoni hypothetical protein 0.0069 0.0253 0.0524
Echinococcus multilocularis thymidylate kinase 0.0143 0.0722 0.0704
Toxoplasma gondii ribonuclease HI protein 0.0067 0.0242 0.2294
Brugia malayi hypothetical protein 0.0033 0.0025 0.0186
Trypanosoma cruzi thymidylate kinase, putative 0.0143 0.0722 0.0817
Trypanosoma brucei ingi protein (ORF1) 0.0076 0.0297 0.03
Mycobacterium tuberculosis Hypothetical protein 0.0057 0.0179 0.1026
Brugia malayi hypothetical protein 0.0241 0.1341 1
Trypanosoma cruzi ribonuclease H1, putative 0.0067 0.0242 0.0232
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0057 0.0178 0.0155
Trypanosoma brucei thymidylate kinase, putative 0.0143 0.0722 0.0817
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.005 0.003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0108 0.0803
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0057 0.0178 0.1329
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.0287 0.0288
Loa Loa (eye worm) hypothetical protein 0.0054 0.0157 0.1172
Schistosoma mansoni thyroid hormone receptor 0.0142 0.0712 0.1552
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0108 0.0088
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0057 0.0178 0.0159
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.002 0.0148
Echinococcus multilocularis thymidine kinase 0.0738 0.4476 0.4465
Trichomonas vaginalis thymidine kinase, putative 0.134 0.8274 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0287 0.0288
Loa Loa (eye worm) thymidylate kinase 0.0143 0.0722 0.5388
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.0287 0.3518
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0108 0.0803
Chlamydia trachomatis thymidylate kinase 0.0143 0.0722 1
Schistosoma mansoni phosphoglucomutase 0.0067 0.0242 0.0498
Trypanosoma cruzi thymidine kinase, putative 0.134 0.8274 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0057 0.0179 0.0156
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0057 0.0178 0.0156
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0138 0.0107
Entamoeba histolytica thymidine kinase, putative 0.134 0.8274 1
Brugia malayi RNase H family protein 0.0067 0.0242 0.1801
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0287 0.0288
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0157 0.1172
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0138 0.1053
Loa Loa (eye worm) inositol-1 0.0074 0.0287 0.2139
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0253 0.1889
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.005 0.0069
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.002 0.0148
Brugia malayi hypothetical protein 0.0057 0.0179 0.1332
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0057 0.0178 0.0155
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.005 0.0068
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.1341 0.1324
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0138 0.0107
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.1341 0.2965
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0057 0.0178 0.0356
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0076 0.0297 0.03
Onchocerca volvulus Ribonuclease H1 homolog 0.0067 0.0242 0.2844
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0108 0.0197
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0287 0.0288
Schistosoma mansoni thyroid hormone receptor 0.0142 0.0712 0.1552
Trypanosoma cruzi thymidine kinase, putative 0.134 0.8274 1
Schistosoma mansoni hypothetical protein 0.0173 0.0909 0.1997
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0169 0.0884 0.1013
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0738 0.4476 1
Echinococcus multilocularis ribonuclease H1 0.0067 0.0242 0.0222
Loa Loa (eye worm) hypothetical protein 0.0037 0.005 0.0376
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.005 0.0069
Loa Loa (eye worm) dihydrofolate reductase 0.0049 0.0127 0.0948
Plasmodium falciparum thymidylate kinase 0.0143 0.0722 0.7837
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0056 0.0173 0.015
Schistosoma mansoni hypothetical protein 0.0037 0.005 0.0068
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.005 0.0068
Loa Loa (eye worm) hypothetical protein 0.0037 0.005 0.0376
Schistosoma mansoni lamin 0.0054 0.0157 0.0308
Brugia malayi beta-lactamase 0.0037 0.005 0.0376
Entamoeba histolytica Thymidylate kinase, putative 0.0143 0.0722 0.0817
Schistosoma mansoni lipoxygenase 0.0056 0.0174 0.0346
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0049 0.0127 0.1142
Echinococcus multilocularis thymidylate synthase 0.012 0.0575 0.0557
Loa Loa (eye worm) hypothetical protein 0.0037 0.005 0.0376
Echinococcus multilocularis thymidine kinase 0.0738 0.4476 0.4465
Giardia lamblia Deoxynucleoside kinase 0.116 0.7134 0.8593
Loa Loa (eye worm) beta-lactamase 0.0037 0.005 0.0376
Loa Loa (eye worm) hypothetical protein 0.0037 0.005 0.0376
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0143 0.0722 0.5381
Brugia malayi thymidylate synthase 0.012 0.0575 0.429
Echinococcus multilocularis lamin dm0 0.0054 0.0157 0.0138
Echinococcus granulosus dihydrofolate reductase 0.0049 0.0127 0.0241
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0178 0.0155
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0169 0.0884 0.1013
Trypanosoma cruzi ribonuclease H1, putative 0.0067 0.0242 0.0232
Echinococcus granulosus thymidylate synthase 0.012 0.0575 0.1246
Brugia malayi Inositol-1 0.0074 0.0287 0.2139
Giardia lamblia Ribonuclease H 0.0067 0.0242 0.0078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0454 0.3389
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0454 0.3389
Trypanosoma brucei ribonuclease H1 0.0067 0.0242 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0108 0.0088
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0049 0.0127 0.1142
Trypanosoma brucei RNA helicase, putative 0.039 0.2277 0.2707
Brugia malayi intermediate filament protein 0.0054 0.0157 0.1172
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0143 0.0722 1
Schistosoma mansoni hypothetical protein 0.0107 0.0491 0.1058
Brugia malayi exodeoxyribonuclease III family protein 0.0057 0.0178 0.1329
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0174 0.0155
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0108 0.0197
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0157 0.1172
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.0287 0.1996
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0169 0.0884 0.1013
Onchocerca volvulus 0.0049 0.0129 0.1171
Treponema pallidum thymidylate kinase (tmk) 0.0143 0.0722 1
Schistosoma mansoni thymidylate kinase 0.0143 0.0722 0.1577
Schistosoma mansoni intermediate filament proteins 0.0054 0.0157 0.0308
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0454 0.3389
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0057 0.0178 0.0155
Echinococcus granulosus lamin dm0 0.0054 0.0157 0.0308
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0049 0.0127 0.0614
Trichomonas vaginalis ribonuclease H1, putative 0.0067 0.0242 0.0232
Brugia malayi Latrophilin receptor protein 2 0.0032 0.002 0.0148
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0143 0.0722 1
Brugia malayi RNase H family protein 0.0067 0.0242 0.1801
Echinococcus granulosus thymidylate kinase 0.0143 0.0722 0.1577
Trypanosoma brucei ingi protein (ORF1) 0.0076 0.0297 0.03
Schistosoma mansoni thymidine kinase 0.0738 0.4476 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0151 0.1126
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0067 0.0242 0.1164
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.005 0.0031
Brugia malayi hypothetical protein 0.0051 0.0138 0.103
Trichomonas vaginalis thymidine kinase, putative 0.134 0.8274 1

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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