Detailed information for compound 300947

Basic information

Technical information
  • TDR Targets ID: 300947
  • Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4- pentoxybenzamide
  • MW: 419.433 | Formula: C22H21N5O4
  • H donors: 2 H acceptors: 5 LogP: 3.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)c1n[nH]nn1
  • InChi: 1S/C22H21N5O4/c1-2-3-4-12-30-15-10-8-14(9-11-15)22(29)23-17-7-5-6-16-18(28)13-19(31-20(16)17)21-24-26-27-25-21/h5-11,13H,2-4,12H2,1H3,(H,23,29)(H,24,25,26,27)
  • InChiKey: DRZCVJURKCMFPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-pentoxy-benzamide
  • N-[4-oxo-2-(2H-tetrazol-5-yl)-1-benzopyran-8-yl]-4-pentoxybenzamide
  • N-[4-oxo-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-8-yl]-4-pentoxy-benzamide
  • 4-amoxy-N-[4-keto-2-(2H-tetrazol-5-yl)chromen-8-yl]benzamide
  • N-[4-oxo-2-(2H-tetrazol-5-yl)-8-chromenyl]-4-pentoxybenzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.008 0.3513 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0093 0.452 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0154 0.9375 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0093 0.452 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.3568 0.0121
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.3568 0.0121
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.4531 0.3492
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0137 0.8044 1
Loa Loa (eye worm) hypothetical protein 0.0162 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.3568 0.2346
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0137 0.8044 0.7735
Schistosoma mansoni DNA topoisomerase II 0.0137 0.8044 0.6959
Loa Loa (eye worm) TOPoisomerase family member 0.0137 0.8044 0.7673
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.3568 0.0121
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0137 0.8044 0.7735
Schistosoma mansoni calcium-activated potassium channel 0.0162 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.3568 1
Schistosoma mansoni calcium-activated potassium channel 0.0154 0.9375 0.9028
Plasmodium vivax DNA topoisomerase II, putative 0.0137 0.8044 1
Schistosoma mansoni hypothetical protein 0.0162 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.4531 0.3492
Echinococcus multilocularis small conductance calcium activated potassium 0.0162 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0154 0.9375 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.3568 1
Leishmania major mitochondrial DNA topoisomerase II 0.0154 0.9375 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.3605 0.239
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.3568 0.2551
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.3568 0.2551
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.3568 1
Brugia malayi Probable DNA topoisomerase II 0.0137 0.8044 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.3568 1
Plasmodium falciparum DNA topoisomerase 2 0.0137 0.8044 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0137 0.8044 1
Trypanosoma brucei DNA topoisomerase ii 0.0154 0.9375 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0137 0.8044 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2946 0.1605
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.3568 0.0121
Trichomonas vaginalis DNA topoisomerase II, putative 0.0137 0.8044 0.5
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0093 0.452 0.5
Entamoeba histolytica DNA topoisomerase II, putative 0.0137 0.8044 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.3568 1
Chlamydia trachomatis DNA gyrase subunit B 0.008 0.3513 0.9604
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.1366 0.3828
Giardia lamblia DNA topoisomerase II 0.013 0.7478 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 53 nM Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum ChEMBL. 3336036
IC50 (functional) = 53 nM Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum ChEMBL. 3336036

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.

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