Detailed information for compound 1411704

Basic information

Technical information
  • TDR Targets ID: 1411704
  • Name: 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl] piperidine-4-carboxamide hydrochloride
  • MW: 326.782 | Formula: C13H19ClN6O2
  • H donors: 1 H acceptors: 4 LogP: 0.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1CCN(CC1)Cc1nnnn1Cc1ccco1.Cl
  • InChi: 1S/C13H18N6O2.ClH/c14-13(20)10-3-5-18(6-4-10)9-12-15-16-17-19(12)8-11-2-1-7-21-11;/h1-2,7,10H,3-6,8-9H2,(H2,14,20);1H
  • InChiKey: GDZVHYTWLRQTBR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[1-(2-furylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide hydrochloride
  • 1-[[1-(2-furylmethyl)-5-tetrazolyl]methyl]-4-piperidinecarboxamide hydrochloride
  • 1-[[1-(2-furfuryl)tetrazol-5-yl]methyl]isonipecotamide hydrochloride
  • 1-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidine-4-carboxamide hydrochloride
  • 1-(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-piperidine-4-carboxylic acid amide
  • MLS000031126
  • SMR000005017

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0035 0.0085
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0035 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0753 0.1851
Brugia malayi beta-lactamase family protein 0.0043 0.0035 0.0085
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.4946
Leishmania major hypothetical protein, conserved 0.0043 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.4946
Echinococcus multilocularis geminin 0.0169 0.0421 0.1071
Mycobacterium tuberculosis Hypothetical protein 0.131 0.3914 1
Brugia malayi beta-lactamase 0.0043 0.0035 0.0085
Mycobacterium tuberculosis Conserved hypothetical protein 0.131 0.3914 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0035 0.0085
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0035 0.5
Onchocerca volvulus 0.0043 0.0035 0.0033
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0035 0.5
Echinococcus granulosus Transglutaminase 0.131 0.3914 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.4946
Mycobacterium leprae Conserved hypothetical protein 0.131 0.3914 1
Mycobacterium tuberculosis Long conserved protein 0.131 0.3914 1
Mycobacterium tuberculosis Conserved protein 0.131 0.3914 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0071 0.0178
Onchocerca volvulus 0.0043 0.0035 0.0033
Giardia lamblia Hypothetical protein 0.131 0.3914 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0071 0.0178
Schistosoma mansoni hypothetical protein 0.0169 0.0421 0.1071
Schistosoma mansoni hypothetical protein 0.0169 0.0421 0.1071
Brugia malayi Thioredoxin family protein 0.131 0.3914 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0071 0.0178
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.4946
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0071 0.0178
Mycobacterium ulcerans hypothetical protein 0.131 0.3914 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0071 0.0178
Mycobacterium ulcerans putative transglutaminase-like protein 0.131 0.3914 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0035 0.0085
Onchocerca volvulus 0.0043 0.0035 0.0033
Mycobacterium ulcerans transglutaminase family protein 0.131 0.3914 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0002 0.0256
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.4946
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0035 0.4946
Mycobacterium ulcerans hypothetical protein 0.131 0.3914 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0071 0.0178
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0035 0.0085
Mycobacterium tuberculosis Conserved hypothetical protein 0.131 0.3914 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0071 0.0178
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0002 0.0256
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0035 0.0085
Echinococcus multilocularis Transglutaminase 0.131 0.3914 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0035 0.4946
Giardia lamblia Transglutaminase/protease, putative 0.131 0.3914 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0071 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0002 0.0256
Trichomonas vaginalis peptide N-glycanase, putative 0.131 0.3914 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0071 0.0178
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.4946
Echinococcus granulosus geminin 0.0169 0.0421 0.1071
Schistosoma mansoni hypothetical protein 0.131 0.3914 1
Brugia malayi beta-lactamase family protein 0.0043 0.0035 0.0085
Mycobacterium leprae Conserved hypothetical protein 0.131 0.3914 1

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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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