Detailed information for compound 1354770

Basic information

Technical information
  • TDR Targets ID: 1354770
  • Name: ethyl 1-[1-(2-oxo-2-phenylethyl)benzimidazol- 2-yl]piperidine-4-carboxylate
  • MW: 391.463 | Formula: C23H25N3O3
  • H donors: 0 H acceptors: 3 LogP: 4.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)c1nc2c(n1CC(=O)c1ccccc1)cccc2
  • InChi: 1S/C23H25N3O3/c1-2-29-22(28)18-12-14-25(15-13-18)23-24-19-10-6-7-11-20(19)26(23)16-21(27)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3
  • InChiKey: XUKRWOKPLSGYGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[1-(2-oxo-2-phenyl-ethyl)benzimidazol-2-yl]piperidine-4-carboxylate
  • 1-[1-(2-oxo-2-phenylethyl)-2-benzimidazolyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[1-(2-keto-2-phenyl-ethyl)benzimidazol-2-yl]isonipecotic acid ethyl ester
  • T0520-3179
  • MLS001007638
  • SMR000384816

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
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
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1885 0.4816
Onchocerca volvulus 0.0035 0.0117 0.5
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0083 0.017
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0057 0.0104
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0025 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0057 0.0104
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0025 0.0969
Schistosoma mansoni DNA helicase recq1 0.0011 0.0025 0.0022
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1016 0.3895 0.3892
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1016 0.3895 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2603 1 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0125 0.0122
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0215 0.0191
Schistosoma mansoni dihydroorotate dehydrogenase 0.2603 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1016 0.3895 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0215 0.0191
Treponema pallidum ATP-dependent DNA helicase 0.0005 0.0005 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0057 0.0104
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2603 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2603 1 1
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0037 0.0085
Loa Loa (eye worm) hypothetical protein 0.0019 0.0057 0.2487
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0057 0.2487
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0142 0.0118
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0062 0.0059
Trichomonas vaginalis helicase, putative 0.0008 0.0014 0.0036
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0014 0.0036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0057 0.0033
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2603 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1016 0.3895 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0025 0.002
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1016 0.3895 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Schistosoma mansoni cpg binding protein 0.0037 0.0125 0.0122
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0017 0.0014
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0025 0.0021
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2603 1 0.5
Echinococcus granulosus bloom syndrome protein 0.0026 0.0083 0.017
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0037 0.0094
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0071 0.0046
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0083 0.0059
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2603 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0057 0.0104
Leishmania major dihydroorotate dehydrogenase 0.2603 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0037 0.0032
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2603 1 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1016 0.3895 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0014 0.0036
Plasmodium falciparum dihydroorotate dehydrogenase 0.2603 1 1
Schistosoma mansoni hypothetical protein 0.0494 0.1885 0.1882
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1016 0.3895 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0063 0.2762
Brugia malayi Zinc finger, C2H2 type family protein 0.1016 0.3895 0.388
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0237 0.0232
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0025 0.002
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1016 0.3895 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.1016 0.3895 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0014 0.0036
Schistosoma mansoni hypothetical protein 0.0019 0.0057 0.0054
Schistosoma mansoni blooms syndrome DNA helicase 0.0005 0.0005 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Schistosoma mansoni cpg binding protein 0.0035 0.0117 0.0114
Schistosoma mansoni hypothetical protein 0.0019 0.0057 0.0054
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0025 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1016 0.3895 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0025 0.0952
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0014 0.0036
Schistosoma mansoni hypothetical protein 0.0041 0.0142 0.0139
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0267 0.0264
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0083 0.0213
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.1016 0.3895 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0142 0.6523
Echinococcus multilocularis GPCR, family 2 0.0019 0.0057 0.0104
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2603 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0014 0.0036
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0952
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0215 1
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0083 0.0213
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0014 0.0036
Echinococcus multilocularis cpg binding protein 0.0037 0.0125 0.0278
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0025 0.002
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0117 0.5341
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2603 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2603 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0025 0.002
Loa Loa (eye worm) hypothetical protein 0.006 0.0215 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0014 0.0036
Schistosoma mansoni hypothetical protein 0.0019 0.0057 0.0054
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1016 0.3895 1
Echinococcus granulosus cpg binding protein 0.0037 0.0125 0.0278
Schistosoma mansoni DNA helicase recq5 0.0011 0.0025 0.0022
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0025 0.002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0014 0.0036
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0025 0.002
Brugia malayi CXXC zinc finger family protein 0.0035 0.0117 0.0093
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.005 0.0045
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0057 0.0033
Schistosoma mansoni hypothetical protein 0.0019 0.0057 0.0054
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0051 0.0047
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0057 0.0104
Loa Loa (eye worm) RecQ helicase 0.0026 0.0083 0.3714
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2603 1 1
Entamoeba histolytica recQ family DNA helicase 0.0005 0.0005 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0036
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1885 0.4816

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5221 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 25.1189 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) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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