Detailed information for compound 1357766

Basic information

Technical information
  • TDR Targets ID: 1357766
  • Name: N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-yls ulfonylpiperidine-4-carboxamide
  • MW: 385.909 | Formula: C17H24ClN3O3S
  • H donors: 1 H acceptors: 3 LogP: 1.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)N1CCCC1)NCc1ccccc1Cl
  • InChi: 1S/C17H24ClN3O3S/c18-16-6-2-1-5-15(16)13-19-17(22)14-7-11-21(12-8-14)25(23,24)20-9-3-4-10-20/h1-2,5-6,14H,3-4,7-13H2,(H,19,22)
  • InChiKey: KODZGOREPPHOBM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide
  • N-[(2-chlorophenyl)methyl]-1-1-pyrrolidinylsulfonyl-4-piperidinecarboxamide
  • N-(2-chlorobenzyl)-1-pyrrolidin-1-ylsulfonyl-isonipecotamide

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
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0987 0.2533
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0136 0.0987 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.3219 1
Brugia malayi hypothetical protein 0.0237 0.2339 0.2094
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.1083 0.2657
Leishmania major mitochondrial DNA polymerase beta 0.0303 0.3219 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.0697 0.0697
Loa Loa (eye worm) hypothetical protein 0.0086 0.031 0.031
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.031 0.0712
Trypanosoma brucei glucosidase, putative 0.0136 0.0987 0.2326
Echinococcus granulosus neutral alpha glucosidase AB 0.0136 0.0987 0.0115
Echinococcus multilocularis lysosomal alpha glucosidase 0.0811 1 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0129 0.0882 0.225
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0784 0.9645 0.9611
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.3219 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0784 0.9645 1
Schistosoma mansoni alpha-glucosidase 0.076 0.9323 0.9652
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1083 0.2657
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0136 0.0987 0.2533
Echinococcus multilocularis lysosomal alpha glucosidase 0.0811 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0136 0.0987 0.2326
Onchocerca volvulus Huntingtin homolog 0.0115 0.0697 0.0562
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.031 0.0712
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0987 0.2533
Schistosoma mansoni alpha-glucosidase 0.076 0.9323 0.9652
Echinococcus multilocularis neutral alpha glucosidase AB 0.0136 0.0987 0.0115
Trichomonas vaginalis sucrase-isomaltase, putative 0.0136 0.0987 0.2533
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0086 0.031 0.0712
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2339 0.1598
Brugia malayi Alpha-L-fucosidase family protein 0.0784 0.9645 0.9634
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0987 0.2533
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0136 0.0987 0.0987
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1083 0.2657
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0987 0.2533
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0129 0.0882 0.225
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0344 0.3762 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.031 0.0712
Loa Loa (eye worm) hypothetical protein 0.0115 0.0697 0.0697
Loa Loa (eye worm) hypothetical protein 0.0129 0.0882 0.0882
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.13 0.5
Schistosoma mansoni hypothetical protein 0.0165 0.1372 0.1047
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.031 0.0712
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0136 0.0987 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0086 0.031 0.0712
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0344 0.3762 1
Schistosoma mansoni alpha-l-fucosidase 0.0784 0.9645 1
Leishmania major alpha glucosidase II subunit, putative 0.0136 0.0987 0.2326
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0759 0.9311 0.9244
Loa Loa (eye worm) hypothetical protein 0.0237 0.2339 0.2339
Trypanosoma cruzi hypothetical protein, conserved 0.0136 0.0987 0.2326
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0129 0.0882 0.059
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0136 0.0987 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 0.3219 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0136 0.0987 0.0698
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0811 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0987 0.2533
Loa Loa (eye worm) alpha-L-fucosidase 0.0784 0.9645 0.9645
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0136 0.0987 0.2533
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0784 0.9645 0.9611
Trichomonas vaginalis maltase-glucoamylase, putative 0.0136 0.0987 0.2533
Entamoeba histolytica glycogen debranching enzyme, putative 0.0129 0.0882 0.8449
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2339 0.1598
Echinococcus granulosus lysosomal alpha glucosidase 0.0811 1 1
Onchocerca volvulus Huntingtin homolog 0.0115 0.0697 0.0562
Schistosoma mansoni alpha glucosidase 0.0136 0.0987 0.063
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0129 0.0882 0.5
Onchocerca volvulus 0.06 0.7186 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0086 0.031 0.0712
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.031 0.0712
Brugia malayi hypothetical protein 0.0115 0.0697 0.0399

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] 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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