Detailed information for compound 1314741

Basic information

Technical information
  • TDR Targets ID: 1314741
  • Name: N-(3-chloro-4-methoxyphenyl)-2-[5-(2-fluoroph enyl)tetrazol-2-yl]acetamide
  • MW: 361.758 | Formula: C16H13ClFN5O2
  • H donors: 1 H acceptors: 4 LogP: 3.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)NC(=O)Cn1nnc(n1)c1ccccc1F
  • InChi: 1S/C16H13ClFN5O2/c1-25-14-7-6-10(8-12(14)17)19-15(24)9-23-21-16(20-22-23)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3,(H,19,24)
  • InChiKey: SGPBUPWEKCUJEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-methoxy-phenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
  • N-(3-chloro-4-methoxyphenyl)-2-[5-(2-fluorophenyl)-2-tetrazolyl]acetamide
  • N-(3-chloro-4-methoxy-phenyl)-2-[5-(2-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
  • ZINC04559630
  • BAS 05511459
  • MLS000074813
  • N-(3-Chloro-4-methoxy-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
  • SMR000013413

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Onchocerca volvulus 0.0043 0.0133 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0837 0.1345
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0133 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0133 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0054 0.0596 0.1843
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0133 0.5
Schistosoma mansoni CREB-binding protein 2 0.0114 0.3083 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0133 0.0164
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0133 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0133 0.0838
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0133 0.043
Loa Loa (eye worm) hypothetical protein 0.0043 0.0133 0.0164
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0837 0.1394
Loa Loa (eye worm) hypothetical protein 0.0043 0.0133 0.0164
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0133 0.0164
Brugia malayi beta-lactamase family protein 0.0043 0.0133 0.0221
Schistosoma mansoni single-minded 0.0054 0.0596 0.1843
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0133 0.0321
Brugia malayi beta-lactamase 0.0043 0.0133 0.0221
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0133 1
Echinococcus multilocularis CREB binding protein 0.0078 0.1581 1
Echinococcus granulosus CREB binding protein 0.007 0.1251 0.4056
Onchocerca volvulus 0.0043 0.0133 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0546 0.0858
Trichomonas vaginalis esterase, putative 0.0043 0.0133 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0133 0.5
Mycobacterium ulcerans lipase LipD 0.0043 0.0133 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0133 0.5
Echinococcus granulosus CREB binding protein 0.0114 0.3083 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0133 0.0164
Mycobacterium ulcerans beta-lactamase 0.0043 0.0133 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0133 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0133 0.5
Brugia malayi hypoxia-induced factor 1 0.0169 0.5405 0.9006
Loa Loa (eye worm) hypothetical protein 0.0043 0.0133 0.0164
Loa Loa (eye worm) hypothetical protein 0.0043 0.0133 0.0164
Onchocerca volvulus 0.0043 0.0133 1
Brugia malayi beta-lactamase family protein 0.0043 0.0133 0.0221
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0133 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0035 0.0058
Loa Loa (eye worm) hypothetical protein 0.0183 0.6001 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0133 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.0133 1
Brugia malayi hypothetical protein 0.0183 0.6001 1
Brugia malayi TAZ zinc finger family protein 0.0114 0.3083 0.5138
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0133 0.0321
Loa Loa (eye worm) hypoxia-induced factor 1 0.0169 0.5405 0.9
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0114 0.3083 1
Brugia malayi PAS domain containing protein 0.0054 0.0596 0.0994
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0133 0.0221
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0133 0.0164
Leishmania major hypothetical protein, conserved 0.0043 0.0133 0.5
Loa Loa (eye worm) CBP-B 0.0079 0.1622 0.2661
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0837 0.1394
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0837 0.1345
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0133 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 79.4328 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

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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