Detailed information for compound 1126082

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.355 | Formula: C18H20FNO2
  • H donors: 1 H acceptors: 0 LogP: 4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Oc1ccc(cc1)OC[C@@H]1CCCCN1
  • InChi: 1S/C18H20FNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1
  • InChiKey: SHFDEFVZLYQBBC-HNNXBMFYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
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
Loa Loa (eye worm) leukotriene A4 hydrolase 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
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Schistosoma japonicum ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative 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
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0015 0.0272 0.0272
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Schistosoma mansoni cpg binding protein 0.0028 0.0608 0.0608
Brugia malayi hypothetical protein 0.0015 0.0272 0.0279
Loa Loa (eye worm) hypothetical protein 0.0015 0.0272 0.0226
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0015 0.0272 0.0272
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Loa Loa (eye worm) hypothetical protein 0.0015 0.0272 0.0226
Schistosoma mansoni aminopeptidase A (M01 family) 0.0015 0.0272 0.0272
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.6928 0.6905
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0272 0.0279
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0015 0.0272 0.5
Echinococcus granulosus cpg binding protein 0.003 0.0648 0.0578
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0015 0.0272 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0015 0.0272 0.0199
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0015 0.0272 0.5
Brugia malayi hypothetical protein 0.0128 0.313 0.5362
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.6928 0.6928
Entamoeba histolytica aminopeptidase, putative 0.0015 0.0272 0.5
Loa Loa (eye worm) hypothetical protein 0.0232 0.5738 0.8254
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0015 0.0272 0.5
Brugia malayi CXXC zinc finger family protein 0.0028 0.0608 0.0876
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0015 0.0272 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Trypanosoma brucei Aminopeptidase M1, putative 0.0015 0.0272 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0272 0.0226
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Schistosoma mansoni hypothetical protein 0.0047 0.1089 0.1089
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.6928 1
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0272 0.0279
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Trypanosoma cruzi aminopeptidase, putative 0.0015 0.0272 0.5
Brugia malayi hypothetical protein 0.0015 0.0272 0.0279
Onchocerca volvulus 0.0047 0.1089 1
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0272 0.0279
Echinococcus multilocularis cpg binding protein 0.003 0.0648 0.0578
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1242 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0015 0.0272 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0015 0.0272 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.0015 0.0272 0.0226
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0015 0.0272 0.5
Schistosoma mansoni hypothetical protein 0.0401 1 1
Trypanosoma cruzi aminopeptidase, putative 0.0015 0.0272 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.4083 0.4083
Mycobacterium ulcerans aminopeptidase N PepN 0.0015 0.0272 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0015 0.0272 1
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.5738 0.5706
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Trypanosoma brucei aminopeptidase, putative 0.0015 0.0272 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0015 0.0272 0.5
Loa Loa (eye worm) aminopeptidase N 0.0015 0.0272 0.0226
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.6928 0.6905
Trypanosoma brucei Aminopeptidase M1, putative 0.0015 0.0272 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Echinococcus multilocularis dnaJ subfamily B 0.0401 1 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0015 0.0272 0.0272
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0608 0.0719
Echinococcus multilocularis geminin 0.0166 0.4083 0.4039
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0015 0.0272 0.5
Echinococcus granulosus aminopeptidase N 0.0015 0.0272 0.0199
Schistosoma mansoni hypothetical protein 0.0166 0.4083 0.4083
Echinococcus granulosus geminin 0.0166 0.4083 0.4039
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0272 0.5
Onchocerca volvulus 0.0028 0.0608 0.4107
Schistosoma mansoni survival motor neuron protein 0.0047 0.1089 0.1089
Mycobacterium ulcerans aminopeptidase N PepN 0.0015 0.0272 0.5
Brugia malayi TATA binding protein associated factor 0.0015 0.0272 0.0279
Loa Loa (eye worm) peptidase family M1 containing protein 0.0015 0.0272 0.0226
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0015 0.0272 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0015 0.0272 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1089 0.1733
Brugia malayi hypothetical protein 0.0232 0.5738 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0272 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0272 0.0199
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0272 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1403 0.1403
Echinococcus multilocularis aminopeptidase N 0.0015 0.0272 0.0199
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0272 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0015 0.0272 1
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.5738 0.5706

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.09 uM Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA ChEMBL. 20371179
IC50 (binding) = 0.174 uM Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS ChEMBL. 20371179

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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