Detailed information for compound 204559

Basic information

Technical information
  • TDR Targets ID: 204559
  • Name: 2-[4-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)ethy l]phenoxy]acetic acid
  • MW: 399.442 | Formula: C24H21N3O3
  • H donors: 1 H acceptors: 4 LogP: 4.56 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1ccc(cc1)CCc1nnc(n1c1ccccc1)c1ccccc1
  • InChi: 1S/C24H21N3O3/c28-23(29)17-30-21-14-11-18(12-15-21)13-16-22-25-26-24(19-7-3-1-4-8-19)27(22)20-9-5-2-6-10-20/h1-12,14-15H,13,16-17H2,(H,28,29)
  • InChiKey: SESWGSQSXSOYEB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)ethyl]phenoxy]ethanoic acid
  • 2-[4-[2-[4,5-di(phenyl)-1,2,4-triazol-3-yl]ethyl]phenoxy]acetic acid
  • 2-[4-[2-[4,5-di(phenyl)-1,2,4-triazol-3-yl]ethyl]phenoxy]ethanoic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0301 0.0001
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0448 0.5673 1
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.1739 0.3039
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.035
Schistosoma mansoni hypothetical protein 0.0054 0.052 0.0481
Schistosoma mansoni intermediate filament proteins 0.003 0.0206 0.0166
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0041 0.0041
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0328 0.0053
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0021 0.0037
Echinococcus granulosus GPCR family 2 0.0018 0.0041 0.0041
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0448 0.5673 0.5655
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0123 0.1419 0.2159
Echinococcus multilocularis microtubule associated protein 2 0.0778 1 1
Brugia malayi eukaryotic initiation factor 4A 0.0448 0.5673 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0123 0.1419 0.1419
Plasmodium vivax RNA helicase-1, putative 0.0448 0.5673 1
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.1571 0.2769
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0448 0.5673 0.5655
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0311 0.0513
Echinococcus multilocularis survival motor neuron protein 1 0.0267 0.33 0.33
Loa Loa (eye worm) hypothetical protein 0.0138 0.1617 0.2851
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0301 0.0301
Leishmania major eukaryotic initiation factor 4a, putative 0.0448 0.5673 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.052 0.0883
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0041 0.0041
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0448 0.5673 1
Echinococcus multilocularis lamin 0.003 0.0206 0.0206
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0417 0.0417
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0206 0.0327
Plasmodium falciparum eukaryotic initiation factor 4A 0.0448 0.5673 1
Echinococcus multilocularis lamin dm0 0.003 0.0206 0.0206
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0448 0.5673 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0376 0.0141
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0376 0.0141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0417 0.0378
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.1571 0.2769
Loa Loa (eye worm) hypothetical protein 0.0267 0.33 0.5818
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0448 0.5673 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0417 0.0417
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0417 0.0417
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0301 0.0001
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0301 0.0301
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0448 0.5673 1
Schistosoma mansoni lamin 0.003 0.0206 0.0166
Loa Loa (eye worm) hypothetical protein 0.0138 0.1617 0.2851
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0417 0.0417
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0041 0.0041
Onchocerca volvulus Huntingtin homolog 0.0138 0.1617 0.2581
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0448 0.5673 1
Brugia malayi intermediate filament protein 0.003 0.0206 0.0327
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.03 0.03
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0123 0.1419 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0548
Loa Loa (eye worm) hypothetical protein 0.0056 0.0544 0.0959
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0301 0.0301
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0448 0.5673 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0448 0.5673 0.5673
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0301 0.0001
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0123 0.1419 0.2084
Brugia malayi hypothetical protein 0.0267 0.33 0.5802
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.03 0.5
Brugia malayi Inositol-1 0.0038 0.03 0.0493
Brugia malayi MH2 domain containing protein 0.0135 0.1571 0.2742
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0448 0.5673 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0301 0.0261
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0206 0.0363
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0301 0.0001
Echinococcus granulosus lamin dm0 0.003 0.0206 0.0206
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0115 0.1311 0.2311
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0301 0.0301
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0448 0.5673 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0041 0.0072
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.1685 0.1685
Loa Loa (eye worm) hypothetical protein 0.0448 0.5673 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0544 0.0959
Loa Loa (eye worm) inositol-1 0.0038 0.03 0.0529
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0376 0.0141
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0328 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0301 0.053
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0376 0.0141
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0376 0.0376
Brugia malayi hypothetical protein 0.0138 0.1617 0.2824
Echinococcus granulosus lamin 0.003 0.0206 0.0206
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0123 0.1419 0.1419
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0041 0.0035
Leishmania major eukaryotic initiation factor 4a, putative 0.0448 0.5673 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0301 0.0261
Schistosoma mansoni microtubule-associated protein tau 0.0778 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0041 0.0041
Schistosoma mansoni lamin 0.003 0.0206 0.0166
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0301 0.0001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0041 0.0072
Schistosoma mansoni hypothetical protein 0.0038 0.0311 0.0271
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0417 0.0701
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0248 0.5
Loa Loa (eye worm) intermediate filament protein 0.003 0.0206 0.0363
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0448 0.5673 0.5673
Echinococcus multilocularis musashi 0.003 0.0206 0.0206
Onchocerca volvulus 0.0054 0.052 0.0574
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0544 0.0925
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0448 0.5673 0.5673
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0123 0.1419 0.1384
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0301 0.0301
Onchocerca volvulus Huntingtin homolog 0.0138 0.1617 0.2581
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0123 0.1419 1
Treponema pallidum ATP-dependent RNA helicase 0.0448 0.5673 0.5
Loa Loa (eye worm) acetyltransferase 0.0147 0.1739 0.3065
Schistosoma mansoni survival motor neuron protein 0.0054 0.052 0.0481
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0448 0.5673 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0301 0.0001
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.1739 0.1705
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0448 0.5673 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.03 0.026
Loa Loa (eye worm) hypothetical protein 0.003 0.0206 0.0363
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0301 0.0301
Echinococcus multilocularis GPCR, family 2 0.0018 0.0041 0.0041
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0301 0.0001
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0301 0.0494
Echinococcus granulosus survival motor neuron protein 1 0.0267 0.33 0.33
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0417 0.0735
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0301 0.0001
Echinococcus granulosus intermediate filament protein 0.003 0.0206 0.0206
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.03 0.03
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0041 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0417 0.0378
Schistosoma mansoni inositol monophosphatase 0.0038 0.03 0.026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0417 0.0378
Echinococcus granulosus eukaryotic initiation factor 4A 0.0448 0.5673 0.5673
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.1739 0.1739
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0123 0.1419 0.2474
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0544 0.0925

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 80 uM Inhibition of ADP-induced aggregation of human blood platelets in plasma ChEMBL. 1404231

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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