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  


Substructure search Similarity search

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

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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