Detailed information for compound 1289359

Basic information

Technical information
  • TDR Targets ID: 1289359
  • Name: N-(2-ethoxyphenyl)-4-(6-methyl-1H-benzimidazo l-2-yl)piperidine-1-carboxamide
  • MW: 378.467 | Formula: C22H26N4O2
  • H donors: 2 H acceptors: 2 LogP: 3.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)N1CCC(CC1)c1nc2c([nH]1)ccc(c2)C
  • InChi: 1S/C22H26N4O2/c1-3-28-20-7-5-4-6-18(20)25-22(27)26-12-10-16(11-13-26)21-23-17-9-8-15(2)14-19(17)24-21/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,24)(H,25,27)
  • InChiKey: RTOFDRFFQHZINY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarboxamide
  • MLS000074384
  • SMR000007044
  • ZINC04103523
  • ASN 06579788
  • 4-(5-Methyl-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid (2-ethoxy-phenyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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 0.0043 0.1256 0.2505
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1256 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.5014 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.1256 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1695 0.338
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.5014 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1695 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.1256 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1695 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1256 0.7411
Brugia malayi beta-lactamase family protein 0.0043 0.1256 0.2505
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1256 0.7411
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1695 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1256 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.1256 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1256 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.1256 0.2505
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1256 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1256 0.2505
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1256 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Onchocerca volvulus 0.0043 0.1256 0.5
Onchocerca volvulus 0.0043 0.1256 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1256 0.7411
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1256 0.2505
Mycobacterium ulcerans lipase LipD 0.0043 0.1256 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0.1256 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1695 0.338
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1695 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1256 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.5014 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1695 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1256 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.1256 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1256 0.7411
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Onchocerca volvulus 0.0043 0.1256 0.5
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1256 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1695 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.1256 0.5
Loa Loa (eye worm) beta-lactamase 0.0043 0.1256 0.2505
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1256 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1256 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1695 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1256 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1256 0.5
Brugia malayi beta-lactamase 0.0043 0.1256 0.2505

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 0.8913 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) 6.3096 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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