Detailed information for compound 1361833

Basic information

Technical information
  • TDR Targets ID: 1361833
  • Name: N-(cyclohexylmethyl)-2-(4-methylphenyl)acetam ide
  • MW: 245.36 | Formula: C16H23NO
  • H donors: 1 H acceptors: 1 LogP: 3.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc(cc1)C)NCC1CCCCC1
  • InChi: 1S/C16H23NO/c1-13-7-9-14(10-8-13)11-16(18)17-12-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,17,18)
  • InChiKey: UGNLPMIVPFPDHK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(cyclohexylmethyl)-2-(4-methylphenyl)ethanamide
  • MLS001008761
  • SMR000498993
  • IVK/0012346

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
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 ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
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 granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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 ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
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
Loa Loa (eye worm) hypothetical protein 0.0051 0.0449 0.0449
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0517 0.0517
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Echinococcus multilocularis protein dispatched 1 0.0058 0.0566 0.0566
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0449 0.0449
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0326 0.1729
Loa Loa (eye worm) hypothetical protein 0.014 0.1888 0.1888
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0517 0.0517
Trichomonas vaginalis conserved hypothetical protein 0.014 0.1888 1
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.2376 0.2376
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0517 0.0517
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.064 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0 0.5
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0326 0.1729
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.064 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.1549 0.1549
Loa Loa (eye worm) hypothetical protein 0.0062 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.064 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.0419
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.014 0.1888 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Brugia malayi hypothetical protein 0.0043 0.0326 0.0326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0517 0.0517
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1549 0.8205
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trichomonas vaginalis lysosomal pro-X carboxypeptidase, putative 0.014 0.1888 1
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0449 0.0449
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1579 0.1579
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Toxoplasma gondii serine carboxypeptidase s28 protein 0.014 0.1888 0.5
Schistosoma mansoni patched 1 0.0051 0.0449 0.0449
Giardia lamblia Thymus-specific serine protease precursor 0.014 0.1888 1
Loa Loa (eye worm) hypothetical protein 0.064 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0326 0.1729
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1549 0.1549
Entamoeba histolytica hypothetical protein 0.0043 0.0326 0.1729
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0517 0.0517
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.014 0.1888 0.1888
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.0419
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0326 0.0326
Echinococcus multilocularis protein patched 0.0051 0.0449 0.0449
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0517 0.0517
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0449 0.0449
Brugia malayi Serine protease Z688.6 precursor 0.014 0.1888 0.1888
Schistosoma mansoni hypothetical protein 0.0043 0.0326 0.0326
Trypanosoma cruzi putative prolyl carboxypeptidase, putative 0.014 0.1888 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0326 0.0326
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus multilocularis expressed conserved protein 0.0112 0.1432 0.1432
Leishmania major DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0449 0.0449
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.014 0.1888 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.2376 0.2376
Leishmania major DNA polymerase eta, putative 0.0023 0 0.5
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.014 0.1888 1
Brugia malayi Serine protease Z688.6 precursor 0.014 0.1888 0.1888
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.064 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1549 0.1549
Brugia malayi CHE-14 protein 0.0051 0.0449 0.0449
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0517 0.0517
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.014 0.1888 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.014 0.1888 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Onchocerca volvulus 0.014 0.1888 0.5
Trypanosoma brucei unspecified product 0.0023 0 0.5
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.064 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.0419
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0517 0.0517
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.014 0.1888 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1549 0.1549
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.014 0.1888 0.1888
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Giardia lamblia Serine peptidase, putative 0.014 0.1888 1
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.014 0.1888 0.1888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0517 0.0517
Trichomonas vaginalis conserved hypothetical protein 0.014 0.1888 1
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.014 0.1888 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.0419
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0449 0.2379
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0326 0.0326
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.014 0.1888 1
Echinococcus granulosus expressed conserved protein 0.0112 0.1432 0.1432

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 10 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) 15.8489 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 23.0999 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) 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
Potency (functional) 79.4328 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) 100 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

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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