Detailed information for compound 1496455

Basic information

Technical information
  • TDR Targets ID: 1496455
  • Name: 2-cyclohexylisoindole-1,3-dione
  • MW: 229.274 | Formula: C14H15NO2
  • H donors: 0 H acceptors: 2 LogP: 2.71 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(C2CCCCC2)C(=O)c2c1cccc2
  • InChi: 1S/C14H15NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
  • InChiKey: XUIJACXTIJMYGJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyclohexylisoindoline-1,3-dione
  • 2-cyclohexylisoindoline-1,3-quinone
  • 2133-65-5
  • 1H-Isoindole-1,3(2H)-dione, 2-cyclohexyl-
  • N-Cyclohexylphthalimide
  • NSC15448
  • Phthalimide, N-cyclohexyl-
  • Oprea1_668286
  • EU-0066994
  • STK006959
  • MLS001183489
  • SMR000502042
  • ZINC00235331

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
Loa Loa (eye worm) RNA binding protein 0.0066 0.0537 0.1224
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.033 0.0498
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.2543 0.4247
Echinococcus multilocularis expressed conserved protein 0.0104 0.0958 0.0931
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0052 0.0375 1
Schistosoma mansoni hypothetical protein 0.0555 0.5939 1
Entamoeba histolytica hypothetical protein 0.0118 0.1105 1
Onchocerca volvulus 0.0034 0.0176 0.0477
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Echinococcus multilocularis protein dispatched 1 0.0054 0.0405 0.0372
Plasmodium vivax SET domain protein, putative 0.0034 0.0176 0.2522
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0046 0.0112
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.2543 0.2533
Echinococcus granulosus Niemann Pick C1 protein 0.0159 0.156 0.2582
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0046 0.001
Loa Loa (eye worm) hypothetical protein 0.0138 0.1333 0.3171
Echinococcus granulosus Smad4 0.0027 0.0097 0.0103
Loa Loa (eye worm) hypothetical protein 0.0037 0.0216 0.0439
Echinococcus granulosus potassium voltage gated channel subfamily A 0.026 0.2675 0.4471
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0046 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0046 0.001
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0537 0.1301
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0052 0.0375 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0027 0.0097 0.0149
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0052 0.0375 0.0573
Brugia malayi nuclear hormone receptor 0.0022 0.0046 0.0112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0333 0.0502
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.026 0.2675 0.6485
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0046 0.0023
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0362 0.0876
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Brugia malayi hypothetical protein 0.0118 0.1105 0.2679
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0176 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0046 0.0112
Entamoeba histolytica hypothetical protein 0.0118 0.1105 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0046 0.0016
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.033 0.0719
Brugia malayi hypothetical protein 0.0028 0.0108 0.0263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0333 0.0502
Entamoeba histolytica hypothetical protein 0.0118 0.1105 1
Schistosoma mansoni hypothetical protein 0.0051 0.0362 0.0551
Echinococcus multilocularis Smad4 0.0027 0.0097 0.0061
Echinococcus multilocularis isocitrate dehydrogenase 0.0052 0.0375 0.0342
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0046 0.001
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0046 0.0112
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0046 0.0023
Echinococcus multilocularis smad 0.0027 0.0097 0.0061
Schistosoma mansoni hypothetical protein 0.0555 0.5939 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0046 0.0023
Trichomonas vaginalis set domain proteins, putative 0.0267 0.2762 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0027 0.0097 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0046 0.0023
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0046 0.0016
Brugia malayi Smad1 0.0027 0.0097 0.0236
Schistosoma mansoni hypothetical protein 0.0046 0.0311 0.0466
Echinococcus multilocularis Niemann Pick C1 protein 0.0111 0.1033 0.1007
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0537 0.0848
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0537 0.0506
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0046 0.0112
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0333 0.0502
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0046 0.0016
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0248 0.255 0.254
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0333 0.0807
Brugia malayi Pre-SET motif family protein 0.0235 0.2403 0.5823
Echinococcus granulosus Protein patched homolog 1 0.0048 0.033 0.0498
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0176 0.0236
Schistosoma mansoni smad 0.0027 0.0097 0.0103
Loa Loa (eye worm) hypothetical protein 0.0058 0.0449 0.1009
Toxoplasma gondii isocitrate dehydrogenase 0.0052 0.0375 1
Toxoplasma gondii isocitrate dehydrogenase 0.0052 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0176
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0052 0.0375 0.0342
Entamoeba histolytica hypothetical protein 0.0118 0.1105 1
Brugia malayi Pre-SET motif family protein 0.0034 0.0176 0.0425
Echinococcus granulosus Niemann Pick C1 protein 0.0111 0.1033 0.1688
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.1105 0.1811
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0046 0.0016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0407 0.0907
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0046 0.001
Loa Loa (eye worm) hypothetical protein 0.0111 0.1033 0.2436
Brugia malayi TAR-binding protein 0.0066 0.0537 0.1301
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0537 0.1224
Echinococcus multilocularis mothers against decapentaplegic 5 0.0027 0.0097 0.0061
Onchocerca volvulus Huntingtin homolog 0.0138 0.1333 0.4739
Echinococcus multilocularis X box binding protein 1 0.0325 0.3402 0.3401
Schistosoma mansoni smad1 5 8 and 0.0027 0.0097 0.0103
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0046 0.0016
Echinococcus multilocularis protein patched 0.0048 0.033 0.0297
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0162 0.0213
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0046 0.001
Loa Loa (eye worm) hypothetical protein 0.0248 0.2543 0.613
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0176 0.0236
Loa Loa (eye worm) isocitrate dehydrogenase 0.0052 0.0375 0.0827
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0046 0.0112
Loa Loa (eye worm) hypothetical protein 0.0138 0.1333 0.3171
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0052 0.0375 0.0342
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0046 0.0016
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.1105 0.108
Schistosoma mansoni smad1 5 8 and 0.0027 0.0097 0.0103
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0046 0.0016
Echinococcus granulosus mothers against decapentaplegic 5 0.0027 0.0097 0.0103
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0046 0.0016
Brugia malayi MH2 domain containing protein 0.0391 0.4126 1
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0046 0.0016
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0052 0.0375 0.0573
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0052 0.0375 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0046 0.0112
Echinococcus granulosus geminin 0.0555 0.5939 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0333 0.0502
Brugia malayi nuclear receptor NHR-88 0.0022 0.0046 0.0112
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0046 0.0023
Loa Loa (eye worm) Smad1 0.0027 0.0097 0.0149
Schistosoma mansoni voltage-gated potassium channel 0.026 0.2675 0.4471
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0021 0.0036 0.0088
Brugia malayi CHE-14 protein 0.0048 0.033 0.0801
Brugia malayi steroid hormone receptor 0.0022 0.0046 0.0112
Echinococcus granulosus TGF beta signal transducer SmadC 0.0027 0.0097 0.0103
Echinococcus granulosus smad 0.0027 0.0097 0.0103
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0052 0.0375 1
Echinococcus multilocularis potassium voltage gated channel protein 0.026 0.2675 0.2667
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0046 0.0112
Brugia malayi RNA binding protein 0.0066 0.0537 0.1301
Mycobacterium ulcerans proteasome PrcA 0.0922 1 0.5
Onchocerca volvulus 0.0051 0.0362 0.1162
Loa Loa (eye worm) hypothetical protein 0.0048 0.033 0.0719
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0046 0.0016
Brugia malayi hypothetical protein 0.0248 0.2543 0.6164
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.2403 0.5786
Brugia malayi MH1 domain containing protein 0.0027 0.0097 0.0236
Schistosoma mansoni hypothetical protein 0.0118 0.1105 0.1811
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0046 0.0016
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0046 0.0016
Echinococcus granulosus X box binding protein 1 0.0325 0.3402 0.5702
Schistosoma mansoni patched 1 0.0048 0.033 0.0498
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0046 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0046 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0046 0.0112
Schistosoma mansoni smad1 5 8 and 0.0027 0.0097 0.0103
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0537 0.0848
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0046 0.0112
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0333 0.0725
Schistosoma mansoni voltage-gated potassium channel 0.026 0.2675 0.4471
Schistosoma mansoni coup transcription factor 0.0022 0.0046 0.0016
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0176 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0046 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0537 0.0848
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0027 0.0097 0.0103
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0046 0.0016
Loa Loa (eye worm) hypothetical protein 0.0034 0.0176 0.034
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0046 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0537 0.0848
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0052 0.0375 0.0342
Brugia malayi Isocitrate dehydrogenase 0.0052 0.0375 0.0908
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.1105 0.1811
Onchocerca volvulus 0.0267 0.2762 1
Loa Loa (eye worm) transcription factor SMAD2 0.0391 0.4126 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0916 0.9933 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0176 0.2522
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0537 0.0848
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0046 0.0016
Schistosoma mansoni survival motor neuron protein 0.0051 0.0362 0.0551
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0176 0.0141
Brugia malayi MH2 domain containing protein 0.0027 0.0097 0.0236
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0922 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0046 0.0112
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0333 0.0299
Schistosoma mansoni hypothetical protein 0.0037 0.0216 0.0304
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0046 0.0016
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0046 0.001
Echinococcus multilocularis Niemann Pick C1 protein 0.0159 0.156 0.154
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0333 0.0299
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0046 0.001
Brugia malayi MH2 domain containing protein 0.0027 0.0097 0.0236
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0052 0.0375 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0046 0.001
Onchocerca volvulus Huntingtin homolog 0.0138 0.1333 0.4739
Echinococcus granulosus tar DNA binding protein 0.0066 0.0537 0.0848
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0046 0.0016
Schistosoma mansoni Smad4 0.0027 0.0097 0.0103
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0021 0.0036 0.0088
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0176 0.0236
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0113 0.1052 0.172
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0216 0.0523
Schistosoma mansoni hypothetical protein 0.0325 0.3402 0.5702
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0052 0.0375 0.0342
Echinococcus granulosus expressed conserved protein 0.0104 0.0958 0.1561
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0046 0.0112
Schistosoma mansoni hypothetical protein 0.0046 0.0311 0.0466
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0046 0.0112
Echinococcus multilocularis geminin 0.0555 0.5939 0.5964
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0046 0.001
Echinococcus granulosus potassium voltage gated channel protein 0.026 0.2675 0.4471
Loa Loa (eye worm) hypothetical protein 0.0055 0.0407 0.0907
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0046 0.0016
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0046 0.0112
Loa Loa (eye worm) hypothetical protein 0.0022 0.0046 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0046 0.0023
Loa Loa (eye worm) MH2 domain-containing protein 0.0391 0.4126 1
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0046 0.0016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0176 0.0236
Brugia malayi ecdysteroid receptor 0.0022 0.0046 0.0112
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0407 0.0987
Brugia malayi Niemann-Pick C1 protein precursor 0.0111 0.1033 0.2503
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.033 0.0297
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0407 0.0987
Schistosoma mansoni hypothetical protein 0.0046 0.0311 0.0466
Brugia malayi hypothetical protein 0.0138 0.1333 0.3231
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0052 0.0375 1
Schistosoma mansoni hypothetical protein 0.0046 0.0311 0.0466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0333 0.0502
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0052 0.0375 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0046 0.0016
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0027 0.0097 0.0061
Brugia malayi MH1 domain containing protein 0.0027 0.0097 0.0236
Brugia malayi isocitrate dehydrogenase 0.0052 0.0375 0.0908
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0537 0.1224
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0046 0.0112
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0046 0.0016
Loa Loa (eye worm) hypothetical protein 0.026 0.2675 0.6453

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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