Detailed information for compound 1446944

Basic information

Technical information
  • TDR Targets ID: 1446944
  • Name: N-cycloheptyl-1-(3-methylphenyl)benzimidazole -5-carboxamide
  • MW: 347.453 | Formula: C22H25N3O
  • H donors: 1 H acceptors: 2 LogP: 5.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)n1cnc2c1ccc(c2)C(=O)NC1CCCCCC1
  • InChi: 1S/C22H25N3O/c1-16-7-6-10-19(13-16)25-15-23-20-14-17(11-12-21(20)25)22(26)24-18-8-4-2-3-5-9-18/h6-7,10-15,18H,2-5,8-9H2,1H3,(H,24,26)
  • InChiKey: LZGYHXGSUCCVGR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cycloheptyl-1-(3-methylphenyl)-5-benzimidazolecarboxamide
  • Oprea1_642064
  • K783-0277
  • NCGC00139542-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.01 0.099 0.2814
Brugia malayi hypothetical protein 0.003 0.0133 0.0417
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0255 0.0446
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0498 0.1567
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0425 0.124
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0278 0.3181 1
Trypanosoma brucei hypothetical protein, conserved 0.01 0.099 0.3036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0289 0.0558
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.01 0.099 0.3036
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.01 0.099 0.2814
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0206 0.0287
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0255 0.0446
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0278 0.3181 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0264 0.0831
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0425 0.1338
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0278 0.3181 0.2995
Loa Loa (eye worm) hypothetical protein 0.006 0.0498 0.12
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.01 0.099 0.2814
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0425 0.0961
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0278 0.3181 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0425 0.0961
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0425 0.0961
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0278 0.3181 0.2878
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0278 0.3181 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0255 0.0446
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0425 0.0961
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0425 0.0961
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0255 0.0446
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.01 0.099 0.2814
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0278 0.3181 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0264 0.0432
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0278 0.3181 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.029 0.0808
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0255 0.0446
Giardia lamblia GTOR 0.0054 0.0425 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0278 0.3181 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0498 0.12
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0278 0.3181 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0289 0.0558
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0425 0.124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0153 0.0114
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0498 0.1567
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0289 0.0558
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0278 0.3181 0.2878
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.01 0.099 0.2814
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0255 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0289 0.0558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0289 0.0558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0157 0.0127
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0278 0.3181 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0425 0.1004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0425 0.1004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0191 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0255 0.0446
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.029 0.0515
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0153 0.0114
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.029 0.0515
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0278 0.3181 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0278 0.3181 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0328 0.0685
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0157 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0157 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0119 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0119 0.0002
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0278 0.3181 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0278 0.3181 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0255 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0119 0.0002
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0278 0.3181 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0133 0.0309
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0425 0.0166
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0074 0.0122
Trypanosoma brucei hypothetical protein, conserved 0.01 0.099 0.3036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0425 0.1004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0119 0.0002

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.8913 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 5.2119 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2683 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.4927 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 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) 28.1838 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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

Species name Source Reference Is orphan
Homo sapiens 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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