Detailed information for compound 1359740

Basic information

Technical information
  • TDR Targets ID: 1359740
  • Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N- (5-methylpyridin-2-yl)piperidine-3-carboxamid e
  • MW: 378.446 | Formula: C17H22N4O4S
  • H donors: 1 H acceptors: 5 LogP: 1.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(nc1)NC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1C
  • InChi: 1S/C17H22N4O4S/c1-11-6-7-15(18-9-11)19-17(22)14-5-4-8-21(10-14)26(23,24)16-12(2)20-25-13(16)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,18,19,22)
  • InChiKey: DBZBDHVVANMYIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(5-methyl-2-pyridyl)piperidine-3-carboxamide
  • 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(5-methyl-2-pyridyl)-3-piperidinecarboxamide
  • 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(5-methyl-2-pyridyl)nipecotamide
  • 1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide
  • MLS000045063
  • SMR000026667

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni serine/threonine protein kinase 0.055 0.6419 1
Echinococcus multilocularis cyclin dependent kinase 1 0.055 0.6419 1
Brugia malayi protein-tyrosine kinase 0.0035 0.0336 0.0523
Echinococcus granulosus cyclin dependent kinase 0.055 0.6419 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0009 0.0022 0.0034
Echinococcus granulosus tyrosine protein kinase HCK 0.0032 0.029 0.0451
Plasmodium falciparum protein kinase 5 0.055 0.6419 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0039 0.0381 0.0594
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0302 0.047
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1033 0.1609
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1033 0.1609
Echinococcus multilocularis tyrosine protein kinase Srms 0.0035 0.0336 0.0523
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0035 0.0336 0.0523
Brugia malayi cell division control protein 2 homolog 0.055 0.6419 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0009 0.0022 0.0034
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.1033 0.1609
Loa Loa (eye worm) hypothetical protein 0.0008 0.0009 0.0014
Echinococcus granulosus tyrosine protein kinase Src42A 0.0039 0.0381 0.0594
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0649 0.6278
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0009 0.0022 0.0034
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1033 0.1609
Echinococcus granulosus cyclin dependent kinase 1 0.055 0.6419 1
Trichomonas vaginalis CMGC family protein kinase 0.055 0.6419 1
Schistosoma mansoni tyrosine kinase 0.0009 0.0022 0.0034
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.055 0.6419 1
Loa Loa (eye worm) TK protein kinase 0.0032 0.029 0.0451
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0649 0.101
Schistosoma mansoni nck2/grb4 0.0008 0.0009 0.0014
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0009 0.0022 0.0034
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.055 0.6419 1
Giardia lamblia Kinase, CMGC CDK 0.055 0.6419 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1033 0.1609
Brugia malayi Sex muscle abnormal protein 5 0.0008 0.0009 0.0014
Echinococcus multilocularis growth factor receptor bound protein 2 0.0008 0.0009 0.0014
Echinococcus granulosus cyclin dependent kinase 5 0.055 0.6419 1
Trypanosoma cruzi cdc2-related kinase 1 0.055 0.6419 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.055 0.6419 1
Trichomonas vaginalis CMGC family protein kinase 0.055 0.6419 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0649 0.0649
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0039 0.0381 0.0594
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.055 0.6419 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0039 0.0381 0.0594
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0009 0.0014
Echinococcus granulosus tyrosine protein kinase Fyn 0.0039 0.0381 0.0594
Schistosoma mansoni tyrosine kinase 0.0039 0.0381 0.0594
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0034 0.0323 0.0503
Echinococcus multilocularis cyclin dependent kinase 5 0.055 0.6419 1
Loa Loa (eye worm) hypothetical protein 0.0544 0.635 0.9892
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.055 0.6419 1
Toxoplasma gondii hypothetical protein 0.0033 0.0302 0.047
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.055 0.6419 1
Echinococcus granulosus c src tyrosine kinase 0.0009 0.0022 0.0034
Brugia malayi Probable ClpP-like protease 0.0094 0.1033 0.1609
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0039 0.0381 0.0594
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1033 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0033 0.0302 0.2919
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1033 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.055 0.6419 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0034 0.0323 0.0503
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0039 0.0381 0.0594
Loa Loa (eye worm) hypothetical protein 0.0094 0.1033 0.1609
Echinococcus multilocularis c src tyrosine kinase 0.0009 0.0022 0.0034
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0039 0.0381 0.0594
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1033 0.5
Onchocerca volvulus 0.001 0.0032 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0039 0.0381 0.0594
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0649 0.0649
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0009 0.0014
Schistosoma mansoni adapter molecule crk 0.0008 0.0009 0.0014
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0009 0.0014
Echinococcus multilocularis cyclin dependent kinase 1 0.055 0.6419 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0035 0.0336 0.0523
Loa Loa (eye worm) TK protein kinase 0.0035 0.0336 0.0523
Echinococcus multilocularis tyrosine protein kinase Abl 0.0009 0.0022 0.0034
Entamoeba histolytica cell division protein kinase 2, putative 0.055 0.6419 1
Entamoeba histolytica protein kinase, putative 0.0032 0.029 0.0451
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0008 0.0009 0.0014
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0302 0.047
Echinococcus multilocularis cyclin dependent kinase 0.055 0.6419 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0039 0.0381 0.0594
Plasmodium vivax protein kinase Crk2 0.055 0.6419 1
Echinococcus granulosus growth factor receptor bound protein 2 0.0008 0.0009 0.0014
Schistosoma mansoni tyrosine kinase 0.0039 0.0381 0.0594
Echinococcus granulosus tyrosine protein kinase Fyn 0.0039 0.0381 0.0594
Echinococcus multilocularis NCK adaptor protein 0.0008 0.0009 0.0014
Trypanosoma brucei cdc2-related kinase 1 0.055 0.6419 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.001 0.0033 0.0051
Schistosoma mansoni serine/threonine protein kinase 0.055 0.6419 1
Entamoeba histolytica protein kinase, putative 0.001 0.0033 0.0051
Entamoeba histolytica cell division protein kinase 2, putative 0.055 0.6419 1
Loa Loa (eye worm) SRC-1 0.0039 0.0381 0.0594
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0039 0.0381 0.0594
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0039 0.0381 0.0594
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1033 0.1033
Echinococcus multilocularis tyrosine protein kinase HCK 0.0032 0.029 0.0451
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.0451 0.0702
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0009 0.0014
Trichomonas vaginalis CMGC family protein kinase 0.055 0.6419 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.0336 0.0523
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0039 0.0381 0.0594
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0008 0.0009 0.0014
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1033 0.1033
Mycobacterium ulcerans haloalkane dehalogenase 0.0853 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0649 0.101
Echinococcus multilocularis tyrosine protein kinase Blk 0.0035 0.0336 0.0523
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0039 0.0381 0.0594
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1033 0.5
Trypanosoma cruzi cdc2-related kinase 3 0.055 0.6419 1
Trypanosoma brucei cdc2-related kinase 3 0.055 0.6419 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1033 0.1609
Echinococcus granulosus tyrosine kinase 0.0035 0.0336 0.0523
Trypanosoma cruzi cdc2-related kinase 3 0.055 0.6419 1
Echinococcus granulosus NCK adaptor protein 0.0008 0.0009 0.0014
Brugia malayi SRC-1 0.0039 0.0381 0.0594
Schistosoma mansoni tyrosine kinase 0.0009 0.0022 0.0034
Trypanosoma cruzi cdc2-related kinase 1 0.055 0.6419 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1033 0.5
Giardia lamblia Kinase, CMGC CDK 0.055 0.6419 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0039 0.0381 0.0594
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0008 0.0009 0.0014
Brugia malayi Protein kinase domain containing protein 0.055 0.6419 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1033 0.1609

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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