Detailed information for compound 1208795

Basic information

Technical information
  • TDR Targets ID: 1208795
  • Name: N-cyclohexyl-N'-(2,3-dimethylphenyl)piperidin e-1,3-dicarboxamide
  • MW: 357.49 | Formula: C21H31N3O2
  • H donors: 2 H acceptors: 2 LogP: 3.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)C(=O)NC1CCCCC1)Nc1cccc(c1C)C
  • InChi: 1S/C21H31N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h6,8,12,17-18H,3-5,7,9-11,13-14H2,1-2H3,(H,22,26)(H,23,25)
  • InChiKey: NAXARLQNSJGRDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ASN 06574151
  • MLS000074501
  • Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-[(2,3-dimethyl-phenyl)-amide]
  • SMR000006942

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ets-related 0.0234 0.9256 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.1568 0.1524
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1734 0.1707
Echinococcus granulosus lamin dm0 0.0029 0.0636 0.0636
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0968 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0636 0.0636
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0275 0.0098
Brugia malayi Ets-domain containing protein 0.0077 0.2651 0.2603
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0457 0.0457
Brugia malayi Bromodomain containing protein 0.0046 0.1355 0.1299
Loa Loa (eye worm) hypothetical protein 0.0029 0.0613 0.0613
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.4893 1
Brugia malayi Bromodomain containing protein 0.0091 0.3222 0.3178
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0275 0.0275
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0968 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0275 0.0275
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1235 0.1235
Onchocerca volvulus 0.0051 0.1568 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1479 0.1479
Echinococcus multilocularis musashi 0.0029 0.0636 0.0636
Loa Loa (eye worm) inositol-1 0.0037 0.0968 0.0968
Loa Loa (eye worm) hypothetical protein 0.0066 0.2181 0.2181
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.4893 0.519
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0275 0.0275
Brugia malayi Ets-domain containing protein 0.0077 0.2651 0.2603
Loa Loa (eye worm) hypothetical protein 0.0029 0.0636 0.0636
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0636 0.0574
Loa Loa (eye worm) fli-1 protein 0.0234 0.9256 0.9256
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.013 0.4893 1
Brugia malayi intermediate filament protein 0.0029 0.0636 0.0574
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0968 0.0968
Echinococcus multilocularis geminin 0.018 0.6998 0.6998
Schistosoma mansoni lamin 0.0029 0.0636 0.0496
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1734 0.1734
Echinococcus multilocularis lamin dm0 0.0029 0.0636 0.0636
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.4454 0.4454
Echinococcus granulosus lamin 0.0029 0.0636 0.0636
Schistosoma mansoni bromodomain containing protein 0.0076 0.2626 0.2691
Schistosoma mansoni intermediate filament proteins 0.0029 0.0636 0.0496
Schistosoma mansoni inositol monophosphatase 0.0037 0.0968 0.0863
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.4893 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1734 0.1707
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0275 0.0098
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2444 0.2444
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0275 0.0275
Schistosoma mansoni inositol monophosphatase 0.0037 0.0968 0.0863
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0968 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1568 0.1512
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0968 0.0968
Schistosoma mansoni hypothetical protein 0.0051 0.1568 0.1524
Echinococcus granulosus geminin 0.018 0.6998 0.6998
Toxoplasma gondii aldehyde dehydrogenase 0.013 0.4893 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1577 0.1577
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0968 0.1663
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0805 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0275 0.0275
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.013 0.4893 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0968 0.5
Echinococcus multilocularis lamin 0.0029 0.0636 0.0636
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1235 0.1235
Echinococcus granulosus intermediate filament protein 0.0029 0.0636 0.0636
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1734 0.1707
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.4893 0.519
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.2651 0.2651
Loa Loa (eye worm) hypothetical protein 0.0085 0.3005 0.3005
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2444 0.2444
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.013 0.4893 0.4893
Schistosoma mansoni hypothetical protein 0.0025 0.0457 0.0299
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.2651 0.2651
Brugia malayi PHD-finger family protein 0.003 0.0674 0.0613
Echinococcus granulosus survival motor neuron protein 1 0.0251 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0968 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.2651 0.2651
Schistosoma mansoni lamin 0.0029 0.0636 0.0496
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1734 0.1734
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0554 0.0554
Schistosoma mansoni hypothetical protein 0.018 0.6998 0.7511
Loa Loa (eye worm) hypothetical protein 0.0046 0.1359 0.1359
Brugia malayi MH2 domain containing protein 0.012 0.4454 0.4417
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.4454 0.4454
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0275 0.0098
Schistosoma mansoni gabp alpha 0.0077 0.2651 0.2718
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0065 0.0065
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0275 0.0098
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0968 1
Brugia malayi Fli-1 protein 0.0234 0.9256 0.9251
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0968 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0251 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0554 0.0554
Schistosoma mansoni zinc finger protein 0.0024 0.0403 0.024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1734 0.1734
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1734 0.1734
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0554 0.0406
Echinococcus granulosus zinc finger protein 0.0024 0.0403 0.0403
Schistosoma mansoni hypothetical protein 0.018 0.6998 0.7511
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.4893 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0636 0.0636
Brugia malayi Inositol-1 0.0037 0.0968 0.0909
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1734 0.168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1734 0.1734
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0968 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.013 0.4893 0.4893
Echinococcus multilocularis zinc finger protein 0.0024 0.0403 0.0403

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 112.219 um PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 44.6684 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) 89.1251 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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