Detailed information for compound 787842

Basic information

Technical information
  • TDR Targets ID: 787842
  • Name: N-(4-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazo l-4-yl)sulfonyl]piperidine-3-carboxamide
  • MW: 397.876 | Formula: C17H20ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1C
  • InChi: 1S/C17H20ClN3O4S/c1-11-16(12(2)25-20-11)26(23,24)21-9-3-4-13(10-21)17(22)19-15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,22)
  • InChiKey: NCSZOCLFRQFJOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chlorophenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperidine-3-carboxamide
  • N-(4-chlorophenyl)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxamide
  • N-(4-chlorophenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-nipecotamide

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 mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.0254 0.0598
Brugia malayi Cytochrome P450 family protein 0.0022 0.0059 0.0154
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0149 0.0133
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0066 0.0176
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.0254 0.0241
Loa Loa (eye worm) T-complex protein 1 0.0023 0.0066 0.011
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0149 0.0438
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0031 0.0011
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0322 0.0332
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.0059 0.0039
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0173 0.0382
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0309 0.0289
Schistosoma mansoni hypothetical protein 0.0105 0.0658 0.0677
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0633 0.0652
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1395 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0322 0.0332
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0249 0.0236
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0249 0.0691
Plasmodium falciparum peptide deformylase 0.1395 1 1
Leishmania major T-complex protein 1, beta subunit, putative 0.0023 0.0066 0.0093
Brugia malayi Pre-SET motif family protein 0.0065 0.0366 0.1125
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0173 0.0382
Brugia malayi MAP kinase sur-1 0.0049 0.0254 0.077
Treponema pallidum polypeptide deformylase (def) 0.1395 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0322 0.0303
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1395 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.0249 0.0256
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0023 0.0066 0.0093
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0322 0.0303
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0173 0.0382
Echinococcus granulosus GPCR family 2 0.0049 0.0249 0.0236
Schistosoma mansoni hypothetical protein 0.0049 0.0249 0.0256
Leishmania major polypeptide deformylase-like protein, putative 0.0532 0.3751 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0173 0.0154
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0031 0.0067
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.0633 0.0632
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0658 0.2047
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0633 0.0652
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.0254 1
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0023 0.0066 0.0047
Brugia malayi hypoxia-induced factor 1 0.0146 0.0953 0.2981
Trypanosoma cruzi Peptide deformylase 2, putative 0.0532 0.3751 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0309 0.0289
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0031 0.0011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0366 0.0377
Brugia malayi Pre-SET motif family protein 0.0453 0.3175 1
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0023 0.0066 0.0093
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0066 0.0068
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0265 0.0744
Schistosoma mansoni ap endonuclease 0.0038 0.0173 0.0179
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1395 1 1
Trichomonas vaginalis chaperonin, putative 0.0023 0.0066 0.0126
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.0953 0.2933
Schistosoma mansoni ferritin light chain 0.0017 0.002 0.0021
Echinococcus granulosus single minded 2 0.0035 0.0149 0.0133
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0254 0.0647
Brugia malayi hypothetical protein 0.0158 0.1042 0.3261
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0173 0.0517
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0237 0.0244
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0149 0.0129
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0073 0.0073
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0309 0.0943
Brugia malayi Cytochrome P450 family protein 0.0022 0.0059 0.0154
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0073 0.0007
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.0254 0.0598
Schistosoma mansoni microtubule-associated protein tau 0.1356 0.9714 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0254 0.0598
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0065 0.0366 0.0366
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0366 0.0377
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0059 0.0074
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0031 0.0011
Loa Loa (eye worm) hypothetical protein 0.0049 0.0249 0.0691
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0023 0.0066 0.2424
Trichomonas vaginalis set domain proteins, putative 0.0515 0.3628 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0073 0.0112
Echinococcus multilocularis microtubule associated protein 2 0.1356 0.9714 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.1011 0.3162
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0031 0.0032
Leishmania major hypothetical protein, conserved 0.0024 0.0073 0.0112
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.0254 0.0241
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0173 0.0425
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0031 0.0011
Mycobacterium ulcerans peptide deformylase 0.1395 1 1
Brugia malayi Melibiase family protein 0.0068 0.0387 0.1192
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.075 0.2286
Plasmodium vivax SET domain protein, putative 0.0065 0.0366 0.0302
Leishmania major cytochrome p450-like protein 0.0022 0.0059 0.0074
Loa Loa (eye worm) hypothetical protein 0.0068 0.0387 0.1133
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0031 0.0031
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0073 0.0112
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0387 0.0399
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.0254 0.0254
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0031 0.0011
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0309 0.0746
Plasmodium vivax peptide deformylase, putative 0.1395 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0322 0.0322
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0322 0.0782
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0254 0.0598
Loa Loa (eye worm) hypothetical protein 0.0154 0.1011 0.3116
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.0254 0.0241
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.1011 0.3116
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.0633 0.0632
Echinococcus multilocularis dna polymerase eta 0.0019 0.0031 0.0011
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0309 0.0298
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0105 0.0658 0.1994
Trypanosoma brucei Polypeptide deformylase 1 0.0532 0.3751 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0063 0.0349 0.0339
Loa Loa (eye worm) hypothetical protein 0.0048 0.0246 0.0683
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0173 0.0452
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0073 0.0112
Loa Loa (eye worm) hypothetical protein 0.0158 0.1042 0.3216
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0059 0.0074
Echinococcus granulosus dna polymerase kappa 0.0019 0.0031 0.0011
Onchocerca volvulus 0.0065 0.0366 0.0625
Brugia malayi hypothetical protein 0.0024 0.0073 0.0198
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0066 0.0176
Loa Loa (eye worm) hypothetical protein 0.0065 0.0366 0.1065
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0322 0.0303
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.0254 0.0598
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0066 0.0068
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0065 0.0366 0.0357
Echinococcus multilocularis tumor protein p63 0.033 0.2289 0.2341
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0309 0.0298
Schistosoma mansoni apoferritin-2 0.0017 0.002 0.0021
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0031 0.0011
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0173 0.0154
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0173 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0633 0.0652
Loa Loa (eye worm) hypothetical protein 0.0024 0.0073 0.0132
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0023 0.0066 0.0047
Onchocerca volvulus 0.0048 0.0246 0.028
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0073 0.0007
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0249 0.0754
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0023 0.0066 0.0126
Toxoplasma gondii melibiase subfamily protein 0.0102 0.0633 0.0633
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0322 0.0312
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0309 0.0289
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0066 0.0068
Schistosoma mansoni single-minded 0.0047 0.0237 0.0244
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.0633 0.0632
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0031 0.0032
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0453 0.3175 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0249 0.0236
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0059 0.0087
Echinococcus granulosus microtubule associated protein 2 0.1356 0.9714 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0322 0.0303
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0059 0.0074
Schistosoma mansoni hypothetical protein 0.0049 0.0249 0.0256
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0173 0.0158
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0532 0.3751 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0065 0.0366 0.0357
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0173 0.0154
Toxoplasma gondii hypothetical protein 0.1395 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0173 0.0425
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0249 0.0236
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.0254 0.0598
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.0254 0.0598
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0173 0.0108
Schistosoma mansoni hypothetical protein 0.0049 0.0249 0.0256
Toxoplasma gondii exonuclease III APE 0.0038 0.0173 0.0173
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0059 0.0087
Giardia lamblia TCP-1 chaperonin subunit beta 0.0023 0.0066 0.155
Schistosoma mansoni ap endonuclease 0.0038 0.0173 0.0179
Schistosoma mansoni ferritin light chain 0.0017 0.002 0.0021
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0031 0.0067
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0254 0.0647
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0249 0.0754
Trypanosoma cruzi Peptide deformylase 2, putative 0.0532 0.3751 1
Schistosoma mansoni ferritin 0.0017 0.002 0.0021
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0065 0.0366 0.0357
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0059 0.0087
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0254 0.0647
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.075 0.2286
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0073 0.0007
Brugia malayi Cytochrome P450 family protein 0.0051 0.0265 0.0806
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0246 0.0253
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0254 0.0261
Echinococcus granulosus dna polymerase eta 0.0019 0.0031 0.0011
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0254 0.0647
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0173 0.0108
Schistosoma mansoni DNA polymerase eta 0.0019 0.0031 0.0032
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0387 0.0399
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0532 0.3751 1
Brugia malayi MH2 domain containing protein 0.0118 0.075 0.2338
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0366 0.0377
Schistosoma mansoni ferritin 0.0017 0.002 0.0021
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0633 0.0652
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0309 0.0318
Onchocerca volvulus 0.0515 0.3628 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0065 0.0366 0.0377
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0173 0.0382
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0387 0.1018
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0173 0.6396
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0173 0.0158
Schistosoma mansoni apoferritin-2 0.0017 0.002 0.0021
Echinococcus granulosus tumor protein p63 0.033 0.2289 0.2341
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0249 0.0236
Echinococcus multilocularis GPCR, family 2 0.0049 0.0249 0.0236
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0322 0.0312
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0173 0.0154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.1011 0.3162
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.0254 0.0707
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.0254 0.0241
Brugia malayi PAS domain containing protein 0.0047 0.0237 0.0719
Schistosoma mansoni ferritin 0.0017 0.002 0.0021
Toxoplasma gondii t-complex protein beta subunit 0.0023 0.0066 0.0066
Trypanosoma brucei Peptide deformylase 2 0.0532 0.3751 1
Schistosoma mansoni ferritin 0.0017 0.002 0.0021
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0031 0.0011
Trypanosoma brucei protein kinase, putative 0.0049 0.0254 0.0598
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0281 0.0794

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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