Detailed information for compound 1451477

Basic information

Technical information
  • TDR Targets ID: 1451477
  • Name: N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2- carboxamide
  • MW: 345.416 | Formula: C17H19N3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccn1)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C17H19N3O3S/c21-17(16-9-2-3-10-18-16)19-14-7-6-8-15(13-14)24(22,23)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,21)
  • InChiKey: GZFLVCSUERXUSE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(1-piperidylsulfonyl)phenyl]pyridine-2-carboxamide
  • N-[3-(1-piperidylsulfonyl)phenyl]-2-pyridinecarboxamide
  • N-(3-piperidinosulfonylphenyl)picolinamide
  • T5261007
  • ZINC05635873
  • MLS000774183
  • SMR000364992

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
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 jumonji/arid domain-containing protein 0.0043 0.0508 0.2717
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0053 0.0755 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0099 0.0163
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0338 0.4484
Brugia malayi Smad1 0.0025 0.0099 0.0099
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2168 0.3579
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0107 0.1419
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0048 0.0624 0.7986
Brugia malayi MH1 domain containing protein 0.0025 0.0099 0.0099
Echinococcus granulosus methionine tRNA synthetase 0.0053 0.0755 0.1246
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0624 0.0963
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0358 0.059
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0107 0.1419
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0358 0.1914
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0614 0.0614
Giardia lamblia PHD finger protein 15 0.0035 0.0338 0.4484
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.026 0.5477 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.026 0.5477 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0327 0.054
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0053 0.0755 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0614 0.3289
Loa Loa (eye worm) Smad1 0.0025 0.0099 0.0099
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0048 0.0624 0.0963
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0358 0.059
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0614 0.0614
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.026 0.5477 0.9043
Onchocerca volvulus 0.0048 0.0624 0.058
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0048 0.0624 0.7986
Schistosoma mansoni choline o-acyltransferase 0.0048 0.0624 0.3341
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0508 0.0838
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1195 0.1195
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0338 0.1811
Echinococcus multilocularis GPCR, family 2 0.0047 0.0614 0.1014
Brugia malayi jmjC domain containing protein 0.0115 0.2168 0.2168
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.026 0.5477 0.9043
Loa Loa (eye worm) hypothetical protein 0.0047 0.0614 0.0614
Brugia malayi Choline O-acetyltransferase 0.0048 0.0624 0.0624
Echinococcus granulosus choline O acetyltransferase 0.0048 0.0624 0.103
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0099 0.0163
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0099 0.0099
Brugia malayi jmjC domain containing protein 0.0043 0.0508 0.0508
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0338 0.0338
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0338 0.0559
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0048 0.0624 0.0963
Schistosoma mansoni hypothetical protein 0.0035 0.0338 0.1811
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0508 0.2717
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0048 0.0624 0.0963
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0624 0.0963
Schistosoma mansoni survival motor neuron protein 0.0058 0.0865 0.4628
Chlamydia trachomatis methionine--tRNA ligase 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0107
Brugia malayi PHD-finger family protein 0.0035 0.0338 0.0338
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.026 0.5477 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0053 0.0755 1
Onchocerca volvulus 0.0036 0.0358 0.0119
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.1868 0.1868
Treponema pallidum methionyl-tRNA synthetase 0.002 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0508 0.0838
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0653 0.1079
Brugia malayi MH2 domain containing protein 0.0025 0.0099 0.0099
Onchocerca volvulus 0.0048 0.0624 0.058
Chlamydia trachomatis leucine--tRNA ligase 0.002 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0508 0.0508
Loa Loa (eye worm) hypothetical protein 0.0035 0.0338 0.0338
Leishmania major carnitine palmitoyltransferase-like protein 0.0048 0.0624 0.114
Loa Loa (eye worm) hypothetical protein 0.006 0.0913 0.0913
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0107 0.1419
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0053 0.0755 0.1206
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0624 0.0963
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0653 0.1079
Brugia malayi hypothetical protein 0.0286 0.6057 0.6057
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0614 0.0614
Schistosoma mansoni hypothetical protein 0.0047 0.0614 0.3289
Brugia malayi Pre-SET motif family protein 0.0251 0.5275 0.5275
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0107 0.1419
Brugia malayi methionyl-tRNA synthetase 0.0053 0.0755 0.0755
Brugia malayi MH2 domain containing protein 0.0025 0.0099 0.0099
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0099 0.0163
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0614 0.1014
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0614 0.1014
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0048 0.0624 0.7986
Giardia lamblia Methionyl-tRNA synthetase 0.0053 0.0755 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0048 0.0624 0.0624
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0033 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0458 1 1
Echinococcus multilocularis Smad4 0.0025 0.0099 0.0163
Schistosoma mansoni choline o-acyltransferase 0.0048 0.0624 0.3341
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.2948 0.2948
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.2948 0.2948
Schistosoma mansoni methionine-tRNA synthetase 0.0053 0.0755 0.4039
Schistosoma mansoni smad1 5 8 and 0.0025 0.0099 0.053
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0624 0.0963
Echinococcus multilocularis methionine tRNA synthetase 0.0053 0.0755 0.1246
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0048 0.0624 0.103
Onchocerca volvulus 0.015 0.2963 0.4627
Brugia malayi hypothetical protein 0.0025 0.0107 0.0107
Plasmodium falciparum methionine--tRNA ligase 0.0053 0.0755 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0099 0.0099
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0048 0.0624 0.0963
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.2948 0.2948
Toxoplasma gondii methionyl-tRNA synthetase 0.0053 0.0755 1
Onchocerca volvulus 0.0048 0.0624 0.058
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0358 0.1914
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0048 0.0624 0.0624
Loa Loa (eye worm) choline O-acetyltransferase 0.0048 0.0624 0.0624
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0048 0.0624 0.0624
Loa Loa (eye worm) hypothetical protein 0.0286 0.6057 0.6057
Echinococcus granulosus peregrin 0.0035 0.0338 0.0559
Brugia malayi Bromodomain containing protein 0.0035 0.0338 0.0338
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0338 0.4484
Echinococcus multilocularis smad 0.0025 0.0099 0.0163
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0358 0.1914
Schistosoma mansoni hypothetical protein 0.0047 0.0614 0.3289
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0865 0.0865
Schistosoma mansoni smad1 5 8 and 0.0025 0.0099 0.053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0358 0.1914
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0048 0.0624 0.0963
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0048 0.0624 0.0963
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0338 0.0559
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0053 0.0755 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0624 0.0963
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0614 0.1014
Plasmodium vivax SET domain protein, putative 0.0036 0.0358 0.4739
Leishmania major carnitine/choline acetyltransferase, putative 0.0048 0.0624 0.114
Loa Loa (eye worm) hypothetical protein 0.0036 0.0358 0.0358
Treponema pallidum leucyl-tRNA synthetase 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.1868 0.1868
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0048 0.0624 0.0624
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1627 0.8708
Echinococcus granulosus Smad4 0.0025 0.0099 0.0163
Schistosoma mansoni smad 0.0025 0.0099 0.053
Onchocerca volvulus 0.0048 0.0624 0.058
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0053 0.0755 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.2948 0.2948
Schistosoma mansoni hypothetical protein 0.0058 0.0865 0.4628
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0048 0.0624 0.7986
Loa Loa (eye worm) transcription factor SMAD2 0.0363 0.7825 0.7825
Echinococcus multilocularis choline O acetyltransferase 0.0048 0.0624 0.103
Onchocerca volvulus 0.0058 0.0865 0.0996
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6057 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0053 0.0755 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0048 0.0624 0.103
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0614 0.1014
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6057 1
Schistosoma mansoni hypothetical protein 0.0047 0.0614 0.3289
Onchocerca volvulus Alhambra homolog 0.0035 0.0338 0.0086
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0358 0.059
Brugia malayi MH1 domain containing protein 0.0025 0.0099 0.0099
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5275 0.5275
Loa Loa (eye worm) hypothetical protein 0.0048 0.0624 0.0624
Schistosoma mansoni smad1 5 8 and 0.0025 0.0099 0.053
Brugia malayi MH2 domain containing protein 0.0363 0.7825 0.7825
Loa Loa (eye worm) MH2 domain-containing protein 0.0363 0.7825 0.7825
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6068 1
Leishmania major hypothetical protein, conserved 0.0025 0.0107 0.0195
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0358 0.4739
Echinococcus multilocularis peregrin 0.0035 0.0338 0.0559
Brugia malayi Pre-SET motif family protein 0.0036 0.0358 0.0358
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.002 0 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2168 0.3579
Schistosoma mansoni Smad4 0.0025 0.0099 0.053
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0099 0.053
Leishmania major methionyl-tRNA synthetase, putative 0.0053 0.0755 0.1378
Echinococcus granulosus GPCR family 2 0.0047 0.0614 0.1014
Schistosoma mansoni hypothetical protein 0.0102 0.1868 1
Onchocerca volvulus 0.0286 0.6068 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0338 0.4484
Loa Loa (eye worm) hypothetical protein 0.015 0.2963 0.2963
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0099 0.0163
Brugia malayi hypothetical protein 0.015 0.2963 0.2963
Brugia malayi Choline O-acetyltransferase 0.0048 0.0624 0.0624
Echinococcus granulosus smad 0.0025 0.0099 0.0163
Plasmodium falciparum phd finger protein, putative 0.0035 0.0338 0.4484
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0053 0.0755 0.0755
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.0624 0.7986

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

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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