Detailed information for compound 188374

Basic information

Technical information
  • TDR Targets ID: 188374
  • Name: ethyl 1-[2-(4-benzylphenoxy)ethyl]piperidine- 4-carboxylate
  • MW: 367.481 | Formula: C23H29NO3
  • H donors: 0 H acceptors: 1 LogP: 4.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)CCOc1ccc(cc1)Cc1ccccc1
  • InChi: 1S/C23H29NO3/c1-2-26-23(25)21-12-14-24(15-13-21)16-17-27-22-10-8-20(9-11-22)18-19-6-4-3-5-7-19/h3-11,21H,2,12-18H2,1H3
  • InChiKey: NBVALOWOMUMEJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(4-benzylphenoxy)ethyl]-4-piperidinecarboxylic acid ethyl ester
  • ethyl 1-[2-[4-(phenylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
  • 1-[2-(4-benzylphenoxy)ethyl]isonipecot ethyl ester
  • SC56938
  • 1-[2-[4-(phenylmethyl)phenoxy]ethyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[2-[4-(benzyl)phenoxy]ethyl]isonipecotic acid ethyl ester

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
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
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
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
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 0.002 0.0237 0.0252
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.09 0.0946
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0293 0.8903 0.9463
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.09 0.0892
Echinococcus granulosus nmda type glutamate receptor 0.0024 0.0346 0.0299
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0212 0.0146
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Echinococcus multilocularis receptor type guanylyl cyclase 0.0024 0.0346 0.0281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.09 0.0957
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Trypanosoma brucei unspecified product 0.0022 0.0307 0.6929
Echinococcus multilocularis GPCR, family 3, C terminal 0.0041 0.089 0.0829
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1033 0.0973
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0024 0.0346 0.3347
Brugia malayi metabotropic glutamate receptor type 2 0.0122 0.3481 0.3658
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0067 0.1934
Loa Loa (eye worm) hypothetical protein 0.0024 0.0346 0.0368
Loa Loa (eye worm) hypothetical protein 0.0022 0.0285 0.0303
Loa Loa (eye worm) hypothetical protein 0.0015 0.0067 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.09 0.0946
Brugia malayi orphan nuclear receptor NR2E1 0.0019 0.0212 0.0222
Mycobacterium ulcerans DNA polymerase IV 0.0027 0.0443 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Trypanosoma cruzi extracellular receptor, putative 0.0024 0.0346 0.7815
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.845 0.844
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0022 0.0285 0.0303
Mycobacterium ulcerans aminopeptidase N PepN 0.0015 0.0067 0.1511
Loa Loa (eye worm) RGC/RGC protein kinase 0.0024 0.0346 0.0368
Plasmodium falciparum histone acetyltransferase GCN5 0.0025 0.0402 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Schistosoma mansoni nuclear receptor nhr-48 0.0019 0.0212 0.0146
Brugia malayi Nuclear hormone receptor-like 1 0.0293 0.8903 0.9354
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0227 0.6817 0.7162
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.09 0.0946
Echinococcus granulosus FTZ F1 alpha 0.0041 0.09 0.0892
Echinococcus multilocularis glutamate receptor 2 0.0024 0.0346 0.0281
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Loa Loa (eye worm) hypothetical protein 0.0022 0.0285 0.0303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1033 0.0973
Echinococcus granulosus nuclear receptor nhr 48 0.0019 0.0212 0.0155
Trypanosoma cruzi DNA polymerase kappa, putative 0.0027 0.0443 1
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0212 0.0222
Brugia malayi Receptor family ligand binding region containing protein 0.0064 0.1639 0.1723
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.09 0.0839
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0015 0.0067 0.1511
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0212 0.0155
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0067 0.1934
Loa Loa (eye worm) hypothetical protein 0.0024 0.0346 0.0368
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0024 0.0346 0.0281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.09 0.0957
Entamoeba histolytica hypothetical protein 0.0024 0.0346 0.8337
Loa Loa (eye worm) hypothetical protein 0.0041 0.089 0.0946
Trypanosoma cruzi DNA polymerase kappa, putative 0.0027 0.0443 1
Loa Loa (eye worm) nuclear hormone receptor 0.0019 0.0212 0.0225
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0094 0.2583 0.2533
Trichomonas vaginalis bromodomain-containing protein, putative 0.0028 0.0475 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.09 0.0839
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0015 0.0067 0.1511
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.09 0.0946
Brugia malayi conserved hypotetical protein 0.0019 0.0212 0.0222
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0309 0.9408 0.9404
Brugia malayi nuclear receptor NHR-88 0.0019 0.0212 0.0222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.09 0.0957
Brugia malayi hypothetical protein 0.0019 0.0212 0.0222
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.09 0.0957
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1033 0.1034
Brugia malayi hypothetical protein 0.0019 0.0212 0.0222
Brugia malayi nuclear hormone receptor 0.0041 0.09 0.0946
Brugia malayi ecdysteroid receptor 0.0041 0.09 0.0946
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0024 0.0346 0.0368
Brugia malayi Nuclear hormone receptor-like 1 0.0312 0.9518 1
Echinococcus multilocularis nmda type glutamate receptor 0.0024 0.0346 0.0281
Schistosoma mansoni coup transcription factor 0.0041 0.09 0.0839
Leishmania major extracellular receptor, putative 0.0024 0.0346 1
Echinococcus granulosus receptor type guanylyl cyclase 0.0024 0.0346 0.0299
Brugia malayi Guanylyl cyclase protein 23 0.0024 0.0346 0.0363
Echinococcus granulosus atrial natriuretic peptide receptor 0.0024 0.0346 0.0299
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0067 0.007
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0024 0.0346 0.0281
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.09 0.0892
Trypanosoma brucei Aminopeptidase M1, putative 0.0015 0.0067 0.1511
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.09 0.0957
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.09 0.0839
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0027 0.0443 0.9213
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0015 0.0067 0.1511
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0028 0.0475 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0014 0.0031 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0094 0.2583 0.2533
Loa Loa (eye worm) DR-78 0.0019 0.0212 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.09 0.0946
Brugia malayi nuclear hormone receptor 0.0019 0.0212 0.0222
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0028 0.0475 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0091 0.2499 0.2604
Loa Loa (eye worm) hypothetical protein 0.0064 0.1639 0.1743
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0067 0.1934
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.09 0.0839
Brugia malayi tailless protein 0.0019 0.0212 0.0222
Loa Loa (eye worm) RGC/RGC protein kinase 0.0024 0.0346 0.0368
Entamoeba histolytica acetyltransferase, GNAT family 0.0025 0.0402 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0015 0.0067 0.0071
Brugia malayi Receptor family ligand binding region containing protein 0.0024 0.0346 0.0363
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0285 0.8659 0.865
Brugia malayi hypothetical protein 0.0022 0.0285 0.03
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0041 0.09 0.0892
Schistosoma mansoni protein kinase 0.0024 0.0346 0.0281
Echinococcus granulosus dna polymerase kappa 0.0027 0.0443 0.0402
Loa Loa (eye worm) hypothetical protein 0.0309 0.9408 1
Schistosoma mansoni retinoic acid receptor RXR 0.0041 0.09 0.0839
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0019 0.0212 0.0225
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0024 0.0346 0.0281
Brugia malayi nuclear hormone receptor family member nhr-6 0.0019 0.0212 0.0222
Echinococcus multilocularis metabotropic glutamate receptor 2 0.021 0.6273 0.6248
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0287 0.8696 0.9238
Loa Loa (eye worm) glutamate receptor 0.0099 0.2732 0.2904
Brugia malayi hypothetical protein 0.0024 0.0346 0.0363
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.09 0.0839
Onchocerca volvulus 0.0024 0.0346 0.3347
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0022 0.0285 0.022
Schistosoma mansoni thyroid hormone receptor 0.0328 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.0212 0.0155
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0019 0.0212 0.0146
Brugia malayi Metabotropic glutamate receptor precursor. 0.0251 0.7566 0.795
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Brugia malayi hypothetical protein 0.0015 0.0067 0.007
Echinococcus granulosus glutamate receptor 2 0.0024 0.0346 0.0299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.09 0.0957
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Loa Loa (eye worm) hypothetical protein 0.0015 0.0067 0.0071
Mycobacterium ulcerans DNA polymerase IV 0.0027 0.0443 1
Brugia malayi polk-prov protein 0.002 0.0237 0.0249
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0019 0.0212 0.0222
Trypanosoma cruzi aminopeptidase, putative 0.0015 0.0067 0.1511
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Loa Loa (eye worm) acetyltransferase 0.0094 0.2583 0.2745
Brugia malayi steroid hormone receptor 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Echinococcus granulosus glutamate receptor 2 0.0024 0.0346 0.0299
Loa Loa (eye worm) glutamate receptor 0.0251 0.7566 0.8042
Loa Loa (eye worm) aminopeptidase N 0.0015 0.0067 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.09 0.0839
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0067 0.007
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0019 0.0212 0.0155
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0041 0.089 0.9875
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0031 0.0693
Loa Loa (eye worm) hypothetical protein 0.0024 0.0346 0.0368
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0041 0.09 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0346 0.0368
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0064 0.1639 0.1743
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Onchocerca volvulus 0.0019 0.0212 0.1736
Schistosoma mansoni tyrosine kinase 0.0024 0.0346 0.0281
Schistosoma mansoni metabotropic glutamate receptor 0.0122 0.3481 0.3437
Schistosoma mansoni nuclear receptor 0.0019 0.0212 0.0146
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0024 0.0346 0.0299
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.09 0.0892
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1033 0.1085
Brugia malayi hypothetical protein 0.0015 0.0067 0.007
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0015 0.0067 0.1511
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.09 0.0839
Brugia malayi TATA binding protein associated factor 0.0015 0.0067 0.007
Onchocerca volvulus 0.0041 0.09 1
Schistosoma mansoni metabotropic glutamate receptor 0.021 0.6273 0.6248
Trypanosoma brucei DNA polymerase IV, putative 0.0027 0.0443 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0287 0.8696 0.8687
Brugia malayi nuclear receptor RXR 0.0022 0.0285 0.03
Brugia malayi nuclear receptor NHR-67 0.0019 0.0212 0.0222
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0024 0.0346 0.0281
Loa Loa (eye worm) nuclear receptor NHR-67 0.0019 0.0212 0.0225
Trypanosoma cruzi aminopeptidase, putative 0.0015 0.0067 0.1511
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0237 0.5353
Echinococcus granulosus metabotropic glutamate receptor 2 0.021 0.6273 0.6644
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0212 0.0146
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.845 0.844
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.0212 0.0146
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.09 0.0839
Leishmania major DNA polymerase kappa, putative 0.0014 0.0031 0.0886
Echinococcus multilocularis dna polymerase kappa 0.0027 0.0443 0.0378
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0022 0.0285 0.022
Schistosoma mansoni glutamate receptor NMDA 0.0024 0.0346 0.0281
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.09 0.0892
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0019 0.0212 0.1736
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.09 0.0957
Schistosoma mansoni thyroid hormone receptor 0.0328 1 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0041 0.089 0.0935
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0307 0.6929
Loa Loa (eye worm) RGC/RGC protein kinase 0.0024 0.0346 0.0368
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.09 0.0946
Echinococcus granulosus GPCR family 3 C terminal 0.0041 0.089 0.0881
Schistosoma mansoni hypothetical protein 0.0041 0.089 0.0829
Mycobacterium ulcerans aminopeptidase N PepN 0.0015 0.0067 0.1511
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0028 0.0475 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Onchocerca volvulus Protein ultraspiracle homolog 0.0041 0.09 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.09 0.0946
Trypanosoma brucei aminopeptidase, putative 0.0015 0.0067 0.1511
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.09 0.0946
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0237 0.5353
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0028 0.0475 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.09 0.0839
Onchocerca volvulus 0.0019 0.0212 0.1736
Trichomonas vaginalis DNA polymerase eta, putative 0.0027 0.0443 0.9213
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0067 0.007
Schistosoma mansoni tyrosine kinase 0.0024 0.0346 0.0281
Loa Loa (eye worm) TATA binding protein associated factor 0.0015 0.0067 0.0071
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0024 0.0346 0.0299
Trypanosoma cruzi DNA polymerase kappa, putative 0.0027 0.0443 1
Echinococcus multilocularis tyrosine kinase 0.0024 0.0346 0.0281
Loa Loa (eye worm) hypothetical protein 0.0024 0.0346 0.0368
Brugia malayi Nuclear hormone receptor-like 1 0.0293 0.8903 0.9354
Brugia malayi nuclear receptor NHR-88 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0022 0.0285 0.0303
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0015 0.0067 0.1511
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1033 0.0973
Loa Loa (eye worm) hypothetical protein 0.0291 0.8829 0.9384
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.09 0.0892
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1033 0.1098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.09 0.0957
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.09 0.0946
Brugia malayi ecdysone receptor 0.0019 0.0212 0.0222
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0019 0.0212 0.0146
Schistosoma mansoni nuclear hormone receptor 0.0041 0.09 0.0839
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.09 0.0839
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.09 0.0892
Schistosoma mansoni nuclear receptor 0.0019 0.0212 0.0146
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0015 0.0067 0.1511
Echinococcus multilocularis glutamate receptor 2 0.0024 0.0346 0.0281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1033 0.0973
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0015 0.0067 0.1934
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0024 0.0346 0.0281
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.845 0.8975
Trypanosoma brucei Aminopeptidase M1, putative 0.0015 0.0067 0.1511
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0022 0.0285 0.0234
Brugia malayi hypothetical protein 0.0022 0.0285 0.03
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1033 0.1034
Loa Loa (eye worm) hypothetical protein 0.0024 0.0346 0.0368
Schistosoma mansoni hypothetical protein 0.0287 0.8696 0.8687
Echinococcus granulosus metabotropic glutamate receptor 5 0.0309 0.9408 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.845 0.8982
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0019 0.0212 0.1736
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0014 0.0031 0.0886
Echinococcus granulosus tyrosine kinase 0.0024 0.0346 0.0299
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0024 0.0346 0.0299
Brugia malayi acetyltransferase, GNAT family protein 0.0094 0.2583 0.2714
Echinococcus granulosus thyroid hormone receptor alpha 0.0019 0.0212 0.0155
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.0212 0.0155
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0212 0.0146
Onchocerca volvulus 0.0024 0.0346 0.3347
Giardia lamblia Histone acetyltransferase GCN5 0.0025 0.0402 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.09 0.0957
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0019 0.0212 0.0146
Schistosoma mansoni zinc finger protein 0.0019 0.0212 0.0146
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.09 0.0946
Loa Loa (eye worm) hypothetical protein 0.0022 0.0285 0.0303
Brugia malayi hypothetical protein 0.0128 0.3667 0.3853
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.09 0.0839
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.0212 0.0146
Echinococcus granulosus histone acetyltransferase KAT2B 0.0028 0.0475 0.0437
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0064 0.1639 0.1743
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0019 0.0212 0.0146
Onchocerca volvulus Poor gastrulation protein homolog 0.0041 0.089 0.9875
Echinococcus multilocularis nuclear receptor nhr 48 0.0019 0.0212 0.0146
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.09 0.0839
Onchocerca volvulus Bile acid receptor homolog 0.0041 0.09 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0024 0.0346 0.0299
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1033 0.0973
Loa Loa (eye worm) hypothetical protein 0.0024 0.0346 0.0368
Brugia malayi nuclear receptor RXR 0.0019 0.0212 0.0222
Loa Loa (eye worm) hypothetical protein 0.0019 0.0212 0.0225
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0443 1
Trypanosoma brucei DNA polymerase IV, putative 0.0027 0.0443 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.09 0.0839
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0285 0.022
Brugia malayi nuclear hormone receptor family member odr-7 0.0019 0.0212 0.0222
Trypanosoma cruzi DNA polymerase kappa, putative 0.0027 0.0443 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.09 0.0839
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0024 0.0346 0.0363
Trypanosoma cruzi Aminopeptidase M1, putative 0.0015 0.0067 0.1511
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.09 0.0839
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.09 0.0892
Loa Loa (eye worm) peptidase family M1 containing protein 0.0015 0.0067 0.0071
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0212 0.0222
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.09 0.0839

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 3 mg kg-1 Ex vivo inhibition of LTB4 production in mouse whole blood ChEMBL. 12419366
ED50 (functional) = 3 mg kg-1 The compound was orally efficacious in rat peritoneal Leukotriene B4 production ChEMBL. 12419366
ED50 (functional) = 3 mg kg-1 Ex vivo inhibition of LTB4 production in mouse whole blood ChEMBL. 12419366
ED90 (functional) = 3 mg kg-1 The compound was tested for oral efficacy in rat reversed passive dermal Arthus model; 3-10 ChEMBL. 12419366
ED90 (functional) < 10 mg kg-1 The compound showed excellent potency when dosed orally, inhibiting the production of Leukotriene B4 ChEMBL. 12419366
ED90 (functional) = 30 mg kg-1 The compound was orally efficacious in rat peritoneal Leukotriene B4 production ChEMBL. 12419366
IC50 (functional) = 0.82 uM Inhibition of leukotriene B4 production in human whole blood ChEMBL. 12419366
IC50 (functional) = 0.82 uM Inhibition of leukotriene B4 production in human whole blood ChEMBL. 12419366
IC50 (binding) = 1.8 uM Inhibition of leukotriene A4 hydrolase in human recombinant assay ChEMBL. 12419366
IC50 (binding) = 1.8 uM Inhibition of leukotriene A4 hydrolase in human recombinant assay ChEMBL. 12419366

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12419366

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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