Detailed information for compound 1128562

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.38 | Formula: C18H22N2O
  • H donors: 2 H acceptors: 0 LogP: 2.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CNC(CN1)COc1ccc(cc1)Cc1ccccc1
  • InChi: 1S/C18H22N2O/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)21-14-17-13-19-10-11-20-17/h1-9,17,19-20H,10-14H2
  • InChiKey: NQEDMJQVVYPBBZ-UHFFFAOYSA-N  


Substructure search Similarity search

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
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 japonicum ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative 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
Echinococcus multilocularis leukotriene A 4 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
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 0.0174 0.4748 0.6023
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.7844 0.7836
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0779 0.0755
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1805 0.1829
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0779 1
Schistosoma mansoni cpg binding protein 0.006 0.139 0.1358
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0656 0.0622
Schistosoma mansoni mixed-lineage leukemia protein mll 0.012 0.3171 0.3146
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0015 0.0058 0.0021
Brugia malayi Carboxylesterase family protein 0.0068 0.1622 0.2214
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0835 0.0801
Echinococcus granulosus acetylcholinesterase 0.0068 0.1622 0.1591
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1805 0.1829
Schistosoma mansoni hypothetical protein 0.008 0.1994 0.1964
Schistosoma mansoni ap endonuclease 0.0039 0.0779 0.0745
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.1026 0.1013
Schistosoma mansoni hypothetical protein 0.0035 0.0656 0.0622
Brugia malayi Latrophilin receptor protein 2 0.008 0.1994 0.2741
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0015 0.0058 0.0021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0088 0.2227 0.2786
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0074 0.1805 0.1775
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.9616 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.375 0.3727
Echinococcus granulosus carboxylesterase 5A 0.0068 0.1622 0.1591
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0088 0.2227 0.2199
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.9616 1
Mycobacterium ulcerans hypothetical protein 0.0179 0.4885 1
Echinococcus multilocularis GPCR, family 2 0.008 0.1994 0.1964
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0779 0.1494
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.1994 0.1964
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0015 0.0058 0.0021
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0139 0.0102
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.1994 0.2486
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.1334 0.1335
Echinococcus multilocularis acetylcholinesterase 0.0068 0.1622 0.1591
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0339 0.9616 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0835 0.2742
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.1994 0.1964
Schistosoma mansoni hypothetical protein 0.0352 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0779 0.4127
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.4351 0.4492
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0088 0.2227 0.2199
Echinococcus granulosus GPCR family 2 0.008 0.1994 0.1964
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0074 0.1805 0.1775
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0835 0.2742
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0015 0.0058 0.0691
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0088 0.2227 0.2199
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0779 0.0755
Loa Loa (eye worm) hypothetical protein 0.0254 0.712 0.9071
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.1026 0.1013
Loa Loa (eye worm) hypothetical protein 0.008 0.1994 0.2486
Schistosoma mansoni hypothetical protein 0.008 0.1994 0.1964
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0.4885 1
Schistosoma mansoni hypothetical protein 0.008 0.1994 0.1964
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0779 0.9278
Schistosoma mansoni ap endonuclease 0.0039 0.0779 0.0745
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0779 0.0745
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0734 0.3869
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.7844 0.7836
Schistosoma mansoni hypothetical protein 0.0174 0.4748 0.4728
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.375 0.3727
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.4351 0.4492
Schistosoma mansoni hypothetical protein 0.0352 1 1
Brugia malayi hypothetical protein 0.0035 0.0656 0.0848
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0656 0.0622
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0074 0.1805 0.1775
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.1994 0.1964
Brugia malayi Carboxylesterase family protein 0.0068 0.1622 0.2214
Loa Loa (eye worm) acetylcholinesterase 1 0.0068 0.1622 0.2008
Echinococcus multilocularis aminopeptidase N 0.0015 0.0058 0.0021
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.7844 0.7836
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0254 0.712 1
Schistosoma mansoni cpg binding protein 0.0057 0.1294 0.1262
Brugia malayi latrophilin 2 splice variant baaae 0.0174 0.4748 0.664
Brugia malayi F/Y-rich N-terminus family protein 0.0017 0.0132 0.0105
Echinococcus granulosus transcription factor Dp 1 0.0043 0.0885 0.0852
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.375 0.5228
Brugia malayi CXXC zinc finger family protein 0.0057 0.1294 0.1751
Echinococcus multilocularis carboxylesterase 5A 0.0068 0.1622 0.1591
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0779 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Echinococcus multilocularis cpg binding protein 0.006 0.139 0.1358
Entamoeba histolytica hypothetical protein 0.0035 0.0656 0.3426
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Toxoplasma gondii histone lysine methyltransferase SET1 0.0111 0.2893 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.1294 0.1588
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Echinococcus granulosus acetylcholinesterase 0.0068 0.1622 0.1591
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.1026 0.1013
Loa Loa (eye worm) acetyltransferase 0.014 0.375 0.4742
Leishmania major mitochondrial DNA polymerase beta 0.0339 0.9616 1
Toxoplasma gondii hypothetical protein 0.0055 0.1233 0.4145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0088 0.2227 0.2199
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0015 0.0058 0.0021
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.1026 0.1013
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0779 0.0745
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0779 0.1021
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0779 0.0755
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0835 1
Echinococcus multilocularis geminin 0.0352 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0254 0.712 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.3634 0.3611
Echinococcus multilocularis acetylcholinesterase 0.0068 0.1622 0.1591
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0088 0.2227 0.3072
Toxoplasma gondii exonuclease III APE 0.0039 0.0779 0.2544
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0779 0.0755
Entamoeba histolytica hypothetical protein 0.0035 0.0656 0.3426
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.1994 0.1964
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0254 0.712 0.9071
Loa Loa (eye worm) hypothetical protein 0.0068 0.1622 0.2008
Echinococcus granulosus cpg binding protein 0.006 0.139 0.1358
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0779 0.0926
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0779 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0074 0.1805 1
Schistosoma mansoni cpg binding protein 0.006 0.139 0.1358
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0734 0.9376
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0074 0.1805 0.1829
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0139 0.0102
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0835 1
Onchocerca volvulus 0.0057 0.1294 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.1622 0.2008
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0074 0.1805 0.2244
Entamoeba histolytica hypothetical protein 0.0035 0.0656 0.3426
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0088 0.2227 0.2199
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0779 0.5
Brugia malayi hypothetical protein 0.0128 0.3402 0.4734
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.1994 0.2741
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0139 0.0104
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.1622 0.1591
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.7844 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0015 0.0058 0.0691
Entamoeba histolytica hypothetical protein 0.0035 0.0656 0.3426
Schistosoma mansoni aminopeptidase A (M01 family) 0.0015 0.0058 0.0021
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Schistosoma mansoni hypothetical protein 0.008 0.1994 0.1964
Loa Loa (eye worm) carboxylesterase 0.0068 0.1622 0.2008
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.0885 0.0852
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0088 0.2227 0.2199
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1805 0.1829
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0656 0.0622
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0835 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0074 0.1805 0.2474
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0015 0.0058 0.0691
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0058 0.0021
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0779 0.9328
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0088 0.2227 0.2199
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.4351 0.4492
Echinococcus granulosus aminopeptidase N 0.0015 0.0058 0.0021
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0779 0.9328

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA ChEMBL. 20371179
IC50 (binding) = 0.342 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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