Detailed information for compound 1351042

Basic information

Technical information
  • TDR Targets ID: 1351042
  • Name: N-(3-chlorophenyl)-2-methylpiperidine-1-carbo xamide
  • MW: 252.74 | Formula: C13H17ClN2O
  • H donors: 1 H acceptors: 1 LogP: 3.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC(=O)N1CCCCC1C
  • InChi: 1S/C13H17ClN2O/c1-10-5-2-3-8-16(10)13(17)15-12-7-4-6-11(14)9-12/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,15,17)
  • InChiKey: JQFOFZSXPBHNSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chlorophenyl)-2-methyl-piperidine-1-carboxamide
  • N-(3-chlorophenyl)-2-methyl-1-piperidinecarboxamide
  • SMR000010884
  • BAS 01923302
  • ST5258006
  • 2-Methyl-piperidine-1-carboxylic acid (3-chloro-phenyl)-amide
  • MLS000073968

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Saccharomyces cerevisiae protein transporter TIM23 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium yoelii hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Neospora caninum hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Theileria parva mitochondrial import inner membrane translocase, putative Get druggable targets OG5_128152 All targets in OG5_128152
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Babesia bovis mitochondrial import inner membrane protein, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
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
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1355 0.1355
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1355 0.1355
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1355 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.1355 0.1355
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1355 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1355 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1355 0.1355
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1355 1
Onchocerca volvulus 0.0012 0.1355 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1355 0.1355
Brugia malayi hypothetical protein 0.0044 0.8883 0.8883
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1355 0.1355
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1355 0.1355
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1355 0.1355
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1355 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.1355 0.1355
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1355 0.1355
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1355 1
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0049 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1355 0.1355
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1355 0.1355
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1355 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1355 0.1355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1355 0.1355
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1355 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1355 0.1355
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1355 0.1355
Loa Loa (eye worm) hypothetical protein 0.0049 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1355 0.1355
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1355 0.1355
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355
Brugia malayi steroid hormone receptor 0.0012 0.1355 0.1355
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1355 0.1355
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1355 0.1355
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1355 0.1355
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1355 0.1355
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1355 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1355 0.1355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1355 0.1355
Brugia malayi nuclear hormone receptor 0.0012 0.1355 0.1355
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1355 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1355 0.1355
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1355 0.5
Brugia malayi ecdysteroid receptor 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1355 0.1355
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0049 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1355 0.1355
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0049 1 1
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0049 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1355 0.1355
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1355 0.1355
Schistosoma mansoni hypothetical protein 0.0049 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1355 0.1355
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1355 0.1355
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1355 0.1355
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1355 0.1355
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0049 1 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1355 0.1355
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1355 1
Brugia malayi hypothetical protein 0.0044 0.8883 0.8883
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1355 0.1355
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1355 0.1355
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1355 0.1355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1355 0.1355
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1355 0.1355
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1355 0.1355
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0049 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355
Loa Loa (eye worm) hypothetical protein 0.0012 0.1355 0.1355

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 14.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim23-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463212, AID463216, AID504657, AID504672] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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 (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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