Detailed information for compound 1444322

Basic information

Technical information
  • TDR Targets ID: 1444322
  • Name: 1-[4-(4-chlorophenoxy)phenyl]piperidine-2,6-d ione
  • MW: 315.751 | Formula: C17H14ClNO3
  • H donors: 0 H acceptors: 2 LogP: 3.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Oc1ccc(cc1)N1C(=O)CCCC1=O
  • InChi: 1S/C17H14ClNO3/c18-12-4-8-14(9-5-12)22-15-10-6-13(7-11-15)19-16(20)2-1-3-17(19)21/h4-11H,1-3H2
  • InChiKey: GFVDTLRYSSYWJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(4-chlorophenoxy)phenyl]piperidine-2,6-quinone
  • MLS000564016
  • SMR000176281
  • 1-[4-(4-Chloro-phenoxy)-phenyl]-piperidine-2,6-dione
  • BAS 00900342
  • ZINC02078512
  • AK-918/12272174

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Candida albicans Mitochondrial NADP-specific 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
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi isocitrate dehydrogenase 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase 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
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 isocitrate dehydrogenase 2 (NADP+) 0.0019 0.1803 0.1803
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0822 0.0822
Schistosoma mansoni coup transcription factor 0.0012 0.0822 0.0822
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.1803 0.1803
Brugia malayi ecdysteroid receptor 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0822 0.0822
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.1803 0.1803
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0822 0.0822
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0822 0.0822
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0822 0.0822
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0822 0.0822
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1803 0.5
Brugia malayi TAR-binding protein 0.0076 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.1803 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.1803 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1803 0.1803
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Onchocerca volvulus 0.0012 0.0822 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0822 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0822 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1803 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0822 0.0822
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0822 0.0822
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0822 0.0822
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1803 0.1803
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1803 0.1803
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0822 0.0822
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0822 0.0822
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0822 0.0822
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0822 0.0822
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0822 0.0822
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0822 0.0822
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0822 0.0822
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.1803 0.1803
Brugia malayi nuclear hormone receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0822 0.0822
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.1803 0.1803
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0822 0.0822
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0822 0.0822
Brugia malayi Isocitrate dehydrogenase 0.0019 0.1803 0.1803
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0822 0.0822
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0822 0.0822
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0822 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0822 0.0822
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1803 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0822 0.0822
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.1803 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0822 0.0822
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1803 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0822 0.0822
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0822 0.0822
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0822 0.0822
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0822 0.0822
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1803 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi steroid hormone receptor 0.0012 0.0822 0.0822
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0822 0.0822
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0822 0.0822
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.1803 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0.0822 0.0822
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.1803 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0822 0.0822
Brugia malayi isocitrate dehydrogenase 0.0019 0.1803 0.1803
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0822 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6626 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) 3.6964 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) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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 (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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