Detailed information for compound 20574

Basic information

Technical information
  • TDR Targets ID: 20574
  • Name: 2-[[3-(2H-tetrazol-5-yl)phenoxy]methyl]quinol ine
  • MW: 303.318 | Formula: C17H13N5O
  • H donors: 1 H acceptors: 4 LogP: 2.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [nH]1nnc(n1)c1cccc(c1)OCc1ccc2c(n1)cccc2
  • InChi: 1S/C17H13N5O/c1-2-7-16-12(4-1)8-9-14(18-16)11-23-15-6-3-5-13(10-15)17-19-21-22-20-17/h1-10H,11H2,(H,19,20,21,22)
  • InChiKey: ASTFJODCVHJWJI-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[3-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]methyl]quinoline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cavia porcellus Cysteinyl leukotriene receptor 1 Starlite/ChEMBL References
Homo sapiens cysteinyl leukotriene receptor 1 References
Homo sapiens cysteinyl leukotriene receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Cysteinyl leukotriene receptor 1   340 aa 307 aa 25.1 %
Echinococcus granulosus tachykinin peptides receptor 99D Cysteinyl leukotriene receptor 1   340 aa 309 aa 22.3 %
Onchocerca volvulus Cysteinyl leukotriene receptor 1   340 aa 304 aa 22.0 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Cysteinyl leukotriene receptor 1   340 aa 313 aa 21.4 %
Onchocerca volvulus Cysteinyl leukotriene receptor 1   340 aa 280 aa 26.8 %
Schistosoma mansoni neuropeptide receptor Cysteinyl leukotriene receptor 1   340 aa 302 aa 23.8 %
Onchocerca volvulus Cysteinyl leukotriene receptor 1   340 aa 303 aa 21.1 %
Brugia malayi GnHR receptor homolog Cysteinyl leukotriene receptor 1   340 aa 317 aa 19.2 %
Echinococcus multilocularis allatostatin A receptor Cysteinyl leukotriene receptor 1   340 aa 318 aa 23.6 %
Echinococcus multilocularis neuropeptide receptor Cysteinyl leukotriene receptor 1   340 aa 300 aa 24.7 %
Echinococcus granulosus allatostatin A receptor Cysteinyl leukotriene receptor 1   340 aa 330 aa 23.6 %
Onchocerca volvulus Programmed cell death protein 5 homolog Cysteinyl leukotriene receptor 1   340 aa 286 aa 23.8 %
Onchocerca volvulus Cysteinyl leukotriene receptor 1   340 aa 317 aa 19.9 %
Echinococcus granulosus neuropeptide receptor Cysteinyl leukotriene receptor 1   340 aa 299 aa 24.1 %
Schistosoma mansoni peptide (allatostatin)-like receptor Cysteinyl leukotriene receptor 1   340 aa 309 aa 26.5 %
Loa Loa (eye worm) neuropeptide F receptor Cysteinyl leukotriene receptor 1   340 aa 309 aa 23.0 %
Schistosoma mansoni neuropeptide F-like receptor Cysteinyl leukotriene receptor 1   340 aa 279 aa 21.1 %
Onchocerca volvulus Cysteinyl leukotriene receptor 1   340 aa 311 aa 19.3 %
Onchocerca volvulus Cysteinyl leukotriene receptor 1   340 aa 298 aa 21.5 %
Schistosoma mansoni opsin-like receptor Cysteinyl leukotriene receptor 1   340 aa 324 aa 23.8 %
Onchocerca volvulus Cysteinyl leukotriene receptor 1   340 aa 317 aa 25.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi GMP reductase 0.0926 1 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0926 1 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0871 0.8869 0.5
Leishmania major guanosine monophosphate reductase 0.0926 1 0.5
Trypanosoma cruzi GMP reductase 0.0926 1 0.5
Toxoplasma gondii IMP dehydrogenas 0.0926 1 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0926 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0926 1 0.5
Leishmania major inosine-5-monophosphate dehydrogenase 0.0926 1 0.5
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0926 1 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0871 0.8869 0.8869
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0871 0.8869 0.5
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0926 1 0.5
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0926 1 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0926 1 0.5
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0926 1 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0926 1 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0926 1 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0926 1 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0486 0.0954 0.0954
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0926 1 0.5
Trypanosoma brucei GMP reductase 0.0926 1 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 mg kg-1 Oral activity expressed as percent inhibition in LTD4-induced wheal assay in guinea pig; Not determined ChEMBL. 2157009
ED50 (functional) = 145 mg kg-1 Oral activity expressed as effective dose in leukotriene mediated anaphylaxis assay in guinea pig ChEMBL. 2157009
IC50 (functional) = 200 nM Inhibition of the spasmogenic activity of LTD4 in guinea pig parenchymal strips. ChEMBL. 2157009
IC50 (functional) = 200 nM Inhibition of the spasmogenic activity of LTD4 in guinea pig parenchymal strips. ChEMBL. 2157009
Inhibition (functional) = 13 % Inhibition of LTD4-induced broncho constriction in Guinea pig after intragastrical administration of a dose of 3 mg/kg ChEMBL. 2104935
Inhibition (functional) < 89 % Inhibition of LTD4-induced broncho constriction in Guinea pig after intragastrical administration of a dose of 25 mg/kg ChEMBL. 2104935
Inhibition (functional) = 90 % Tested for the inhibition of LTD4-induced broncho constriction in Guinea pig, injected intraduodenally at a dose of 25 mg/kg ChEMBL. 2104935
Ki (binding) = 115 nM Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM) ChEMBL. 2157009
Ki (binding) = 115 nM Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM) ChEMBL. 2157009

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

2 literature references were collected for this gene.

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