Detailed information for compound 1317724

Basic information

Technical information
  • TDR Targets ID: 1317724
  • Name: N'-(2-methylphenyl)-N-(phenylmethyl)piperidin e-1,3-dicarboxamide
  • MW: 351.442 | Formula: C21H25N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)C(=O)NCc1ccccc1)Nc1ccccc1C
  • InChi: 1S/C21H25N3O2/c1-16-8-5-6-12-19(16)23-20(25)18-11-7-13-24(15-18)21(26)22-14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,22,26)(H,23,25)
  • InChiKey: AMSHDADWZPLOKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(benzyl)-N'-(2-methylphenyl)piperidine-1,3-dicarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.4558 0.4558
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.4558 0.4558
Schistosoma mansoni nuclear hormone receptor 0.0012 0.4558 0.4558
Brugia malayi nuclear hormone receptor 0.0012 0.4558 0.4558
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.4558 0.4558
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.4558 0.4558
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.4558 0.4558
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.4558 0.4558
Schistosoma mansoni thyroid hormone receptor 0.0012 0.4558 0.4558
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.4558 0.4558
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.4558 0.4558
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.4558 0.4558
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.4558 0.4558
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.4558 0.4558
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 1 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.4558 0.4558
Schistosoma mansoni coup transcription factor 0.0012 0.4558 0.4558
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.4558 0.4558
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.4558 0.4558
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.4558 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.4558 0.4558
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.4558 0.4558
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.4558 0.4558
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.4558 0.4558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.4558 0.4558
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.4558 0.4558
Brugia malayi nuclear receptor NHR-88 0.0012 0.4558 0.4558
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.4558 0.4558
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.4558 0.4558
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 1 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.4558 0.4558
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.4558 0.4558
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.4558 0.4558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.4558 0.4558
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.4558 0.4558
Brugia malayi Isocitrate dehydrogenase 0.0019 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.4558 0.4558
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 1 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.4558 0.4558
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.4558 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.4558 0.4558
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.4558 0.4558
Brugia malayi ecdysteroid receptor 0.0012 0.4558 0.4558
Loa Loa (eye worm) hypothetical protein 0.0012 0.4558 0.4558
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.4558 0.4558
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.4558 0.4558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.4558 0.4558
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.4558 0.4558
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 1 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.4558 0.4558
Brugia malayi steroid hormone receptor 0.0012 0.4558 0.4558
Onchocerca volvulus 0.0012 0.4558 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.4558 0.4558
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.4558 0.4558
Echinococcus granulosus FTZ F1 alpha 0.0012 0.4558 0.4558
Toxoplasma gondii isocitrate dehydrogenase 0.0019 1 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.4558 0.4558
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.4558 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 1 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.4558 0.4558
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.4558 0.4558
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.4558 0.4558
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.4558 0.4558
Schistosoma mansoni thyroid hormone receptor 0.0012 0.4558 0.4558
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.4558 0.4558
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.4558 0.4558
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.4558 0.4558
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.4558 0.4558
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.4558 0.4558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.4558 0.4558
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.4558 0.4558

Activities

Activity type Activity value Assay description Source Reference
AbsAC40_uM (functional) > 26 uM PUBCHEM_BIOASSAY: Sustained Induction of HSF-1 Measured in Cell-Based System Using Plate Reader - 2038-07_Activator_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) > 260 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.