Detailed information for compound 224353

Basic information

Technical information
  • TDR Targets ID: 224353
  • Name: 5-[2-[4-[(3-methylnaphthalen-1-yl)oxymethyl]p henyl]phenyl]-2H-tetrazole
  • MW: 392.453 | Formula: C25H20N4O
  • H donors: 1 H acceptors: 3 LogP: 5.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(OCc2ccc(cc2)c2ccccc2c2n[nH]nn2)c2c(c1)cccc2
  • InChi: 1S/C25H20N4O/c1-17-14-20-6-2-3-8-22(20)24(15-17)30-16-18-10-12-19(13-11-18)21-7-4-5-9-23(21)25-26-28-29-27-25/h2-15H,16H2,1H3,(H,26,27,28,29)
  • InChiKey: INSWKSDYMCULTE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[2-[4-[(3-methyl-1-naphthyl)oxymethyl]phenyl]phenyl]-2H-tetrazole
  • 5-[2-[4-[(3-methylnaphthalen-1-yl)oxymethyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole
  • 5-[2-[4-[(3-methyl-1-naphthoxy)methyl]phenyl]phenyl]-2H-tetrazole

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
Trypanosoma brucei carbonic anhydrase-like protein 0.0767 1 1
Plasmodium vivax glutamine synthetase, putative 0.0219 0.2566 0.5
Echinococcus granulosus carbonic anhydrase 0.0376 0.4688 0.4596
Echinococcus multilocularis geminin 0.0043 0.0172 0.0001
Loa Loa (eye worm) Gln-2 protein 0.0107 0.1038 0.1038
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0767 1 1
Trichomonas vaginalis glutamine synthetase, putative 0.0057 0.0358 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0376 0.4688 0.4688
Schistosoma mansoni carbonic anhydrase-related 0.0376 0.4688 0.4595
Echinococcus granulosus carbonic anhydrase II 0.0767 1 1
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.0169 0.1886 0.5
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0107 0.1038 0.0881
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0767 1 1
Echinococcus granulosus carbonic anhydrase 0.0376 0.4688 0.4596
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.0169 0.1886 0.5305
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0376 0.4688 0.4688
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0376 0.4688 0.4688
Onchocerca volvulus Glutamine synthetase homolog 0.0107 0.1038 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0288 0.0288
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0376 0.4688 0.4688
Echinococcus multilocularis carbonic anhydrase 0.0376 0.4688 0.4596
Schistosoma mansoni carbonic anhydrase 0.0376 0.4688 0.4595
Echinococcus granulosus geminin 0.0043 0.0172 0.0001
Echinococcus granulosus carbonic anhydrase 0.0376 0.4688 0.4596
Schistosoma mansoni carbonic anhydrase-related 0.0376 0.4688 0.4595
Entamoeba histolytica glutamine synthetase, putative 0.0057 0.0358 0.5
Plasmodium falciparum carbonic anhydrase 0.0376 0.4688 1
Mycobacterium ulcerans glutamine synthetase 0.0219 0.2566 1
Echinococcus granulosus glutamine synthetase 0.0107 0.1038 0.0882
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0219 0.2566 1
Toxoplasma gondii hypothetical protein 0.0376 0.4688 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.4688 0.4688
Echinococcus multilocularis carbonic anhydrase II 0.0767 1 1
Schistosoma mansoni glutamine synthetase bacteria 0.0169 0.1886 0.1745
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0219 0.2566 1
Echinococcus multilocularis carbonic anhydrase 0.0376 0.4688 0.4596
Schistosoma mansoni glutamine synthetase bacteria 0.0169 0.1886 0.1745
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.0057 0.0358 0.5
Loa Loa (eye worm) hypothetical protein 0.0376 0.4688 0.4688
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0219 0.2566 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0767 1 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.4688 0.4688
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0376 0.4688 0.4595
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0767 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0767 1 1
Echinococcus multilocularis glutamine synthetase 0.0107 0.1038 0.0882
Entamoeba histolytica glutamine synthetase, putative 0.0057 0.0358 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0767 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0376 0.4688 0.4595
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0376 0.4688 0.4688
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0376 0.4688 0.4688
Loa Loa (eye worm) carbonic anhydrase 3 0.0767 1 1
Mycobacterium ulcerans hypothetical protein 0.0113 0.1118 0.3441
Leishmania major carbonic anhydrase-like protein 0.0767 1 1
Echinococcus multilocularis carbonic anhydrase 0.0376 0.4688 0.4596

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 90 uM In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation ChEMBL. 1433210
IC50 (binding) = 90 uM In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation ChEMBL. 1433210

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

1 literature reference was collected for this gene.

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