Detailed information for compound 1245605

Basic information

Technical information
  • TDR Targets ID: 1245605
  • Name: 5-(phenoxymethyl)-1-phenyltetrazole
  • MW: 252.271 | Formula: C14H12N4O
  • H donors: 0 H acceptors: 3 LogP: 2.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)OCc1nnnn1c1ccccc1
  • InChi: 1S/C14H12N4O/c1-3-7-12(8-4-1)18-14(15-16-17-18)11-19-13-9-5-2-6-10-13/h1-10H,11H2
  • InChiKey: KRYHCNMBYSZHGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(phenoxymethyl)-1-phenyl-tetrazole
  • 5-(phenoxymethyl)-1-phenyl-1,2,3,4-tetrazole
  • STOCK6S-26904
  • 5-(phenoxymethyl)-1-phenyl-1H-tetrazole
  • ZINC04387186
  • MLS000582966
  • SMR000200995
  • A3902/0165995

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens NLR family, pyrin domain containing 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi beta-lactamase family protein 0.0071 0.0722 0.08
Loa Loa (eye worm) hypothetical protein 0.0071 0.0722 0.08
Onchocerca volvulus 0.0071 0.0722 0.2378
Loa Loa (eye worm) hypothetical protein 0.007 0.0695 0.077
Echinococcus granulosus expressed conserved protein 0.009 0.1188 0.1316
Entamoeba histolytica hypothetical protein 0.011 0.1664 1
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0722 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1329 0.1472
Echinococcus granulosus acetylcholinesterase 0.0414 0.9028 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.4594 0.5088
Loa Loa (eye worm) hypothetical protein 0.0146 0.2534 0.2807
Onchocerca volvulus 0.007 0.0695 0.2265
Loa Loa (eye worm) hypothetical protein 0.0071 0.0722 0.08
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0722 1
Brugia malayi Carboxylesterase family protein 0.0414 0.9028 1
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.2329 0.2579
Onchocerca volvulus Huntingtin homolog 0.0148 0.2585 1
Loa Loa (eye worm) beta-lactamase 0.0071 0.0722 0.08
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.1359 0.1505
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0722 0.0029
Entamoeba histolytica hypothetical protein 0.011 0.1664 1
Echinococcus multilocularis geminin 0.0352 0.7536 0.8348
Echinococcus granulosus BC026374 protein S09 family 0.007 0.0695 0.077
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.1664 0.1843
Brugia malayi beta-lactamase 0.0071 0.0722 0.08
Onchocerca volvulus 0.007 0.0695 0.2265
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1329 0.1472
Echinococcus granulosus acetylcholinesterase 0.0414 0.9028 1
Echinococcus multilocularis muscleblind protein 0.0146 0.2534 0.2807
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0613 0.0679
Loa Loa (eye worm) hypothetical protein 0.0051 0.0225 0.0249
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2493 0.2762
Toxoplasma gondii ABC1 family protein 0.0071 0.0722 0.5
Onchocerca volvulus 0.0071 0.0722 0.2378
Trichomonas vaginalis spcc417.12 protein, putative 0.007 0.0695 0.962
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1365 0.1512
Echinococcus multilocularis acetylcholinesterase 0.0414 0.9028 1
Echinococcus multilocularis para nitrobenzyl esterase 0.007 0.0695 0.077
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0722 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0722 0.08
Loa Loa (eye worm) hypothetical protein 0.0105 0.1541 0.1707
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.007 0.0695 0.962
Schistosoma mansoni gliotactin 0.007 0.0695 0.077
Brugia malayi hypothetical protein 0.011 0.1664 0.1843
Loa Loa (eye worm) hypothetical protein 0.0148 0.2585 0.2863
Loa Loa (eye worm) hypothetical protein 0.007 0.0695 0.077
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0414 0.9028 1
Brugia malayi Carboxylesterase family protein 0.007 0.0695 0.077
Brugia malayi Carboxylesterase family protein 0.007 0.0695 0.077
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.1359 0.1505
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0722 0.5
Echinococcus granulosus carboxylesterase 5A 0.0414 0.9028 1
Schistosoma mansoni hypothetical protein 0.0352 0.7536 0.8348
Mycobacterium ulcerans beta-lactamase 0.0071 0.0722 1
Brugia malayi Carboxylesterase family protein 0.0414 0.9028 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0141 0.0157
Loa Loa (eye worm) hypothetical protein 0.0071 0.0722 0.08
Mycobacterium tuberculosis Conserved protein 0.0071 0.0722 0.0029
Mycobacterium ulcerans lipase LipD 0.0071 0.0722 1
Mycobacterium leprae Probable lipase LipE 0.0071 0.0722 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.007 0.0695 0.077
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0722 0.08
Loa Loa (eye worm) hypothetical protein 0.0148 0.2585 0.2863
Brugia malayi hypothetical protein 0.0231 0.4594 0.5088
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0722 0.08
Loa Loa (eye worm) carboxylesterase 0.007 0.0695 0.077
Mycobacterium tuberculosis Conserved protein 0.0071 0.0722 0.0029
Onchocerca volvulus 0.007 0.0695 0.2265
Brugia malayi hypothetical protein 0.007 0.0695 0.077
Echinococcus granulosus geminin 0.0352 0.7536 0.8348
Echinococcus multilocularis transcription factor eb 0.0105 0.1554 0.1721
Schistosoma mansoni transcription factor LCR-F1 0.011 0.1664 0.1843
Brugia malayi beta-lactamase family protein 0.0071 0.0722 0.08
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0105 0.1554 0.1721
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0722 0.08
Echinococcus granulosus family S9 non peptidase ue S09 family 0.007 0.0695 0.077
Echinococcus granulosus transcription factor eb 0.0105 0.1554 0.1721
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.0695 0.077
Brugia malayi hypothetical protein 0.0148 0.2585 0.2863
Onchocerca volvulus Huntingtin homolog 0.0148 0.2585 1
Echinococcus multilocularis carboxylesterase 5A 0.0414 0.9028 1
Brugia malayi Carboxylesterase family protein 0.007 0.0695 0.077
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.4594 0.5088
Loa Loa (eye worm) carboxylesterase 0.0414 0.9028 1
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0722 0.0029
Loa Loa (eye worm) hypothetical protein 0.0146 0.2534 0.2807
Echinococcus multilocularis acetylcholinesterase 0.0414 0.9028 1
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0722 0.0029
Echinococcus granulosus muscleblind protein 0.0146 0.2534 0.2807
Leishmania major hypothetical protein, conserved 0.0071 0.0722 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.007 0.0695 0.077
Loa Loa (eye worm) hypothetical protein 0.007 0.0695 0.077
Onchocerca volvulus 0.0071 0.0722 0.2378
Loa Loa (eye worm) hypothetical protein 0.007 0.0695 0.077
Schistosoma mansoni hypothetical protein 0.0047 0.0141 0.0157
Brugia malayi Carboxylesterase family protein 0.007 0.0695 0.077
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0722 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0105 0.1541 0.1707
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.0695 0.077
Schistosoma mansoni survival motor neuron protein 0.0047 0.0141 0.0157
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0722 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.007 0.0695 0.077
Trichomonas vaginalis esterase, putative 0.0071 0.0722 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0722 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0722 0.08
Brugia malayi MH2 domain containing protein 0.0144 0.2493 0.2762
Loa Loa (eye worm) hypothetical protein 0.007 0.0695 0.077
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0722 0.5
Entamoeba histolytica hypothetical protein 0.011 0.1664 1
Brugia malayi Muscleblind-like protein 0.0146 0.2534 0.2807
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0722 0.0029
Loa Loa (eye worm) hypothetical protein 0.0414 0.9028 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.9028 1
Schistosoma mansoni acetylcholinesterase 0.007 0.0695 0.077
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.2329 0.2579
Loa Loa (eye worm) carboxylesterase 0.007 0.0695 0.077
Echinococcus multilocularis protein dispatched 1 0.0047 0.0141 0.0156
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0722 0.08
Loa Loa (eye worm) hypothetical protein 0.007 0.0695 0.077
Schistosoma mansoni hypothetical protein 0.011 0.1664 0.1843
Echinococcus multilocularis muscleblind protein 1 0.0146 0.2534 0.2807
Mycobacterium tuberculosis Conserved protein 0.0071 0.0722 0.0029
Echinococcus multilocularis neuroligin 0.007 0.0695 0.077
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.1359 0.1505
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0722 0.0029
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0722 0.0029
Schistosoma mansoni hypothetical protein 0.0352 0.7536 0.8348
Mycobacterium ulcerans hypothetical protein 0.0071 0.0722 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0722 0.08
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0722 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0722 0.08
Loa Loa (eye worm) hypothetical protein 0.0097 0.1359 0.1505
Echinococcus granulosus para nitrobenzyl esterase 0.007 0.0695 0.077
Onchocerca volvulus 0.007 0.0695 0.2265
Echinococcus multilocularis expressed conserved protein 0.009 0.1188 0.1316
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0722 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1329 0.1472
Onchocerca volvulus 0.007 0.0695 0.2265
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.1664 0.1843
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0722 0.08
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.4594 0.5088
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.0695 0.077
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0722 0.0029
Loa Loa (eye worm) hypothetical protein 0.007 0.0695 0.077
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0722 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2493 0.2762
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1329 0.1472
Schistosoma mansoni neuroligin 3 (S09 family) 0.007 0.0695 0.077
Schistosoma mansoni hypothetical protein 0.0067 0.0613 0.0679
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0722 1
Entamoeba histolytica hypothetical protein 0.011 0.1664 1
Echinococcus granulosus neuroligin 0.007 0.0695 0.077
Loa Loa (eye worm) hypothetical protein 0.0067 0.0613 0.0679
Loa Loa (eye worm) acetylcholinesterase 1 0.0414 0.9028 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of inhibitors of NALP3 in yeast using a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2825, AID2832] ChEMBL. No reference
Potency (functional) 0.5623 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.