Detailed information for compound 1011648

Basic information

Technical information
  • TDR Targets ID: 1011648
  • Name: 5-oxo-5-[[4-(phenylmethoxy)phenyl]amino]penta noic acid
  • MW: 313.348 | Formula: C18H19NO4
  • H donors: 2 H acceptors: 3 LogP: 2.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)OCc1ccccc1)CCCC(=O)O
  • InChi: 1S/C18H19NO4/c20-17(7-4-8-18(21)22)19-15-9-11-16(12-10-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)(H,21,22)
  • InChiKey: QHWQEQFCGHLBRH-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-[[4-(benzyloxy)phenyl]amino]-5-keto-valeric acid
  • STK137503

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens leukotriene A4 hydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative Get druggable targets OG5_129538 All targets in OG5_129538
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus multilocularis leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Loa Loa (eye worm) leukotriene A4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus granulosus leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 leukotriene A4 hydrolase 611 aa 508 aa 22.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 1 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0171 0.5258 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0713 0.0496
Mycobacterium ulcerans hypothetical protein 0.0161 0.4886 1
Toxoplasma gondii hypothetical protein 0.0049 0.0936 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0713 0.0496
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0228 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0713 0.0496
Trypanosoma brucei beta lactamase 0.0064 0.1473 0.1447
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.9077 1
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0228 0.2187
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.1045 0.0836
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0228 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.2168 0.2389
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0081 0.2053 0.4165
Entamoeba histolytica hypothetical protein 0.0024 0.003 0.5
Brugia malayi hypothetical protein 0.0128 0.3737 0.9108
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0351 0.0661
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0479 0.0528
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0479 0.0528
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.4095 0.437
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0051 0.0991 0.1979
Onchocerca volvulus 0.0084 0.2168 0.5
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.003 0.5
Mycobacterium ulcerans lipoprotein LpqF 0.0064 0.1473 0.2971
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.133 0.1465
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0713 0.0685
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.003 0.1431
Brugia malayi MH2 domain containing protein 0.0138 0.4095 1
Trichomonas vaginalis aldehyde oxidase, putative 0.0171 0.5258 0.5
Schistosoma mansoni bromodomain containing protein 0.0064 0.1458 0.1606
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0228 1
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0228 0.0199
Brugia malayi hypothetical protein 0.0029 0.0228 0.0358
Loa Loa (eye worm) hypothetical protein 0.0041 0.0651 0.0478
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.9077 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.133 0.1465
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.4095 0.437
Loa Loa (eye worm) hypothetical protein 0.0071 0.1724 0.169
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0033 0.0351 0.0661
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.2168 0.2389
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.4308 0.4175
Leishmania major hypothetical protein, conserved 0.0029 0.0228 0.0199
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0064 0.1473 0.2971
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.4886 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.4308 0.4291
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0134 0.3942 0.8056
Loa Loa (eye worm) hypothetical protein 0.0084 0.2168 0.2192
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0058 0.1241 0.2493
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0351 0.0661
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.2168 0.2389
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.9077 1
Brugia malayi Bromodomain containing protein 0.0039 0.0564 0.1195
Loa Loa (eye worm) hypothetical protein 0.0043 0.0719 0.0555
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.003 0.5
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0081 0.2053 0.4165
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0058 0.1241 0.2493
Brugia malayi Bromodomain containing protein 0.0076 0.1877 0.4469
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0134 0.3942 0.8056
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0566 0.0382
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0171 0.5258 0.5
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0081 0.2053 0.4165
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.4308 0.4291
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.9077 1
Mycobacterium ulcerans hypothetical protein 0.0028 0.0179 0.0307
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0064 0.1473 1
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0113 0.321 0.655
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.2168 0.5195
Treponema pallidum quinoline 2-oxidoreductase 0.0027 0.0156 0.8682
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0058 0.1241 0.2493
Treponema pallidum hypothetical protein 0.0028 0.0179 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 18000 nM Inhibition of human recombinant LTA4-h by peptidase assay ChEMBL. 18394906

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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