Detailed information for compound 1258542

Basic information

Technical information
  • TDR Targets ID: 1258542
  • Name: 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2 -oxoethyl]benzamide
  • MW: 320.383 | Formula: C17H24N2O4
  • H donors: 1 H acceptors: 2 LogP: 1.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)NCC(=O)N1CCC(CC1)C
  • InChi: 1S/C17H24N2O4/c1-12-6-8-19(9-7-12)16(20)11-18-17(21)13-4-5-14(22-2)15(10-13)23-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)
  • InChiKey: RUQIMWVSPHXKIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-dimethoxy-N-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]benzamide
  • 3,4-dimethoxy-N-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]benzamide
  • N-[2-keto-2-(4-methyl-1-piperidyl)ethyl]-3,4-dimethoxy-benzamide
  • 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxo-ethyl]benzamide
  • SMR000150444
  • ZINC02647462
  • T5240662
  • MLS000570362

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TK/ROR protein kinase 0.0069 0.117 0.1631
Brugia malayi RNA binding protein 0.0132 0.2605 0.4282
Echinococcus multilocularis muscleblind protein 0.0157 0.3171 0.3795
Schistosoma mansoni hypothetical protein 0.035 0.7534 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6083 0.7936
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1238 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.1238 0.2036
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.2456 0.3822
Schistosoma mansoni hypothetical protein 0.0058 0.0932 0.0702
Loa Loa (eye worm) hypothetical protein 0.0053 0.0814 0.1024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0702 0.0378
Brugia malayi hypothetical protein 0.0026 0.0213 0.035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0814 0.1024
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0376
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.1238 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.1238 0.1047
Echinococcus multilocularis muscleblind protein 1 0.0157 0.3171 0.3795
Loa Loa (eye worm) hypothetical protein 0.0072 0.1238 0.1747
Mycobacterium ulcerans lipase LipD 0.0072 0.1238 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1238 0.1747
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1238 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.2605 0.3057
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.5
Onchocerca volvulus 0.0072 0.1238 0.1267
Echinococcus multilocularis geminin 0.035 0.7534 1
Trypanosoma cruzi hypothetical protein, conserved 0.0069 0.117 0.9336
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.5
Brugia malayi TAR-binding protein 0.0132 0.2605 0.4282
Echinococcus granulosus tissue type plasminogen activator 0.0069 0.117 0.095
Loa Loa (eye worm) TAR-binding protein 0.0132 0.2605 0.4075
Schistosoma mansoni survival motor neuron protein 0.0058 0.0932 0.0702
Brugia malayi beta-lactamase 0.0072 0.1238 0.2036
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.2456 0.3822
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.5
Brugia malayi hypothetical protein 0.0165 0.3348 0.5504
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0069 0.117 0.9336
Onchocerca volvulus 0.0072 0.1238 0.1267
Brugia malayi beta-lactamase family protein 0.0072 0.1238 0.2036
Brugia malayi hypothetical protein 0.0286 0.6083 1
Echinococcus multilocularis tar DNA binding protein 0.0132 0.2605 0.299
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0814 0.1338
Mycobacterium leprae conserved hypothetical protein 0.0072 0.1238 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0702 0.0285
Toxoplasma gondii ABC1 family protein 0.0072 0.1238 1
Schistosoma mansoni hypothetical protein 0.035 0.7534 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.2605 0.4075
Schistosoma mansoni tar DNA-binding protein 0.0132 0.2605 0.3057
Onchocerca volvulus 0.0165 0.3348 1
Echinococcus granulosus tar DNA binding protein 0.0132 0.2605 0.299
Loa Loa (eye worm) hypothetical protein 0.0072 0.1238 0.1747
Mycobacterium leprae Probable lipase LipE 0.0072 0.1238 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1238 0.1747
Echinococcus granulosus muscleblind protein 0.0157 0.3171 0.3795
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.1238 0.1747
Onchocerca volvulus 0.0072 0.1238 0.1267
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0814 0.1338
Loa Loa (eye worm) hypothetical protein 0.0165 0.3348 0.5341
Onchocerca volvulus 0.0069 0.117 0.0985
Mycobacterium ulcerans hypothetical protein 0.0072 0.1238 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0702 0.0378
Schistosoma mansoni tar DNA-binding protein 0.0132 0.2605 0.3057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1238 0.1133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0702 0.0285
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0932 0.1532
Schistosoma mansoni tar DNA-binding protein 0.0132 0.2605 0.3057
Schistosoma mansoni hypothetical protein 0.0039 0.0502 0.0096
Loa Loa (eye worm) RNA binding protein 0.0132 0.2605 0.4075
Loa Loa (eye worm) hypothetical protein 0.0069 0.117 0.1631
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0434 0.0713
Brugia malayi MH2 domain containing protein 0.0126 0.2456 0.4038
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0502 0.0096
Echinococcus multilocularis tissue type plasminogen activator 0.0069 0.117 0.095
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6083 0.7936
Toxoplasma gondii kringle domain-containing protein 0.0069 0.117 0.9336
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1238 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0702 0.1154
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1238 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0702 0.0378
Loa Loa (eye worm) hypothetical protein 0.0157 0.3171 0.5039
Brugia malayi beta-lactamase family protein 0.0072 0.1238 0.2036
Echinococcus granulosus geminin 0.035 0.7534 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1238 0.1133
Loa Loa (eye worm) hypothetical protein 0.0286 0.6083 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0702 0.0833
Loa Loa (eye worm) beta-lactamase 0.0072 0.1238 0.1747
Mycobacterium ulcerans beta-lactamase 0.0072 0.1238 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.117 0.1037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0702 0.0285
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1238 0.5
Leishmania major hypothetical protein, conserved 0.0069 0.117 0.9336
Schistosoma mansoni tar DNA-binding protein 0.0132 0.2605 0.3057
Brugia malayi Kringle domain containing protein 0.0069 0.117 0.1924
Loa Loa (eye worm) hypothetical protein 0.0072 0.1238 0.1747
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.1238 0.1047
Brugia malayi Muscleblind-like protein 0.0157 0.3171 0.5213
Plasmodium falciparum cysteine repeat modular protein 1 0.0069 0.117 1
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.1238 1
Brugia malayi Protein kinase domain containing protein 0.0069 0.117 0.1924
Brugia malayi hypothetical protein 0.0039 0.0502 0.0825
Loa Loa (eye worm) hypothetical protein 0.0072 0.1238 0.1747
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.2605 0.4282
Loa Loa (eye worm) hypothetical protein 0.0157 0.3171 0.5039
Leishmania major hypothetical protein, conserved 0.0072 0.1238 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1238 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0702 0.0285
Plasmodium vivax hypothetical protein, conserved 0.0072 0.1238 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.1238 0.5
Trichomonas vaginalis esterase, putative 0.0072 0.1238 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1238 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 100 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

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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