Detailed information for compound 1498803

Basic information

Technical information
  • TDR Targets ID: 1498803
  • Name: 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)py ridine-3-carboxamide
  • MW: 379.861 | Formula: C17H18ClN3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1Cl)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C17H18ClN3O3S/c18-16-15(5-4-10-19-16)17(22)20-13-6-8-14(9-7-13)25(23,24)21-11-2-1-3-12-21/h4-10H,1-3,11-12H2,(H,20,22)
  • InChiKey: IMSYLRWIZRFPFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-[4-(1-piperidylsulfonyl)phenyl]pyridine-3-carboxamide
  • 2-chloro-N-[4-(1-piperidylsulfonyl)phenyl]-3-pyridinecarboxamide
  • 2-chloro-N-(4-piperidinosulfonylphenyl)nicotinamide
  • ZINC08290635

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

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
Brugia malayi Inositol-1 0.0037 0.4424 0.4424
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.4424 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.4117 0.9306
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.3184 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.4424 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.4117 0.9306
Loa Loa (eye worm) inositol-1 0.0037 0.4424 0.4424
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.4424 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.4424 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 1 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.4424 0.9848
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.4424 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.4492 0.4492
Entamoeba histolytica hypothetical protein 0.0036 0.4117 0.9306
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.4117 0.9306
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.4424 1
Loa Loa (eye worm) hypothetical protein 0.0055 1 1
Brugia malayi hypothetical protein 0.0036 0.4117 0.4117
Schistosoma mansoni inositol monophosphatase 0.0037 0.4424 0.9848
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.4424 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.4424 1
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.4492 1
Entamoeba histolytica hypothetical protein 0.0036 0.4117 0.9306
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.4424 1
Entamoeba histolytica hypothetical protein 0.0036 0.4117 0.9306
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.3184 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.4492 0.4492
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.4424 1
Schistosoma mansoni hypothetical protein 0.0036 0.4117 0.9165
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.4424 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.4424 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.4424 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.4117 0.9165

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 13.1154 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] 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 SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 125.8925 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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