Detailed information for compound 711588

Basic information

Technical information
  • TDR Targets ID: 711588
  • Name: 1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-1 ,2,4-triazole
  • MW: 259.304 | Formula: C14H17N3O2
  • H donors: 0 H acceptors: 2 LogP: 2.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1ccc(c(c1)OC)OCCn1cncn1
  • InChi: 1S/C14H17N3O2/c1-3-4-12-5-6-13(14(9-12)18-2)19-8-7-17-11-15-10-16-17/h3,5-6,9-11H,1,4,7-8H2,2H3
  • InChiKey: WVEFJODIAKPNEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(4-allyl-2-methoxy-phenoxy)ethyl]-1,2,4-triazole
  • 1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1,2,4-triazole
  • 1-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethyl]-1,2,4-triazole
  • 1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-1,2,4-triazole
  • MLS000974283
  • SMR000497841
  • ZINC00618251

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
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 hypothetical protein 0.0552 0.3877 1
Schistosoma mansoni ran 0.0026 0.0103 0.0225
Schistosoma mansoni hypothetical protein 0.0112 0.0724 0.1578
Plasmodium vivax importin-beta 2, putative 0.0035 0.0169 0.0202
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0103 0.0103
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0037 0.0187 0.0484
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0037 0.0187 0.0408
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0103 0.0225
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.0631 0.4439 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0103 0.0225
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.1176 0.8348 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0187 0.0408
Chlamydia trachomatis replicative DNA helicase 0.0631 0.4439 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0122 0.0314
Loa Loa (eye worm) hypothetical protein 0.0037 0.0187 0.0408
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0169 0.9014
Onchocerca volvulus 0.0652 0.4589 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0103 0.0103
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0187 1
Loa Loa (eye worm) oxidoreductase 0.0037 0.0187 0.0408
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0552 0.3877 0.8677
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0552 0.3877 0.4644
Leishmania major oxidoreductase-like protein 0.0037 0.0187 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0169 0.9014
Schistosoma mansoni dual specificity protein phosphatase 0.0652 0.4589 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0552 0.3877 0.8677
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0631 0.4439 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2583 0.5628
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0037 0.0187 1
Schistosoma mansoni hypothetical protein 0.0112 0.0724 0.1578
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0037 0.0187 1
Trichomonas vaginalis ran, putative 0.0026 0.0103 0.0266
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0037 0.0187 0.0484
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0037 0.0187 0.0225
Echinococcus multilocularis dual specificity protein phosphatase 0.0652 0.4589 0.4589
Loa Loa (eye worm) dual specificity phosphatase 0.0652 0.4589 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0169 0.0169
Trypanosoma brucei pteridine reductase 1 0.0037 0.0187 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0122 0.0314
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0552 0.3877 0.8677
Brugia malayi RNA, U transporter 1 0.0099 0.0629 0.1371
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0631 0.4439 1
Schistosoma mansoni Replicative DNA helicase 0.0631 0.4439 0.9673
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0037 0.0187 0.0187
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0187 1
Entamoeba histolytica hypothetical protein 0.0028 0.0122 0.6496
Leishmania major importin beta-1 subunit, putative 0.0028 0.0122 0.6496
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0187 1
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0037 0.0187 1
Echinococcus multilocularis snurportin 1 0.0372 0.2583 0.2583
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0631 0.4439 1
Onchocerca volvulus 0.0037 0.0187 0.0408
Schistosoma mansoni hypothetical protein 0.0112 0.0724 0.1578
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0552 0.3877 0.8677
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0112 0.0724 0.1578
Brugia malayi Dual specificity phosphatase, catalytic domain containing protein 0.0652 0.4589 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0169 0.0368
Schistosoma mansoni hypothetical protein 0.0372 0.2583 0.5628
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0552 0.3877 1
Leishmania major pteridine reductase 1 0.0037 0.0187 1
Plasmodium falciparum importin beta, putative 0.0035 0.0169 0.0436
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0187 0.0408
Echinococcus granulosus dual specificity protein phosphatase 0.0652 0.4589 0.4589
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0103 0.0266
Loa Loa (eye worm) twinkle helicase 0.018 0.1211 0.2638
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0037 0.0187 1
Giardia lamblia Dual specificity phosphatase, catalytic 0.0652 0.4589 1
Schistosoma mansoni dihydropteridine reductase 0.0037 0.0187 0.0408
Treponema pallidum replicative DNA helicase (dnaB) 0.0631 0.4439 0.5
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0103 0.0123
Schistosoma mansoni apoptosis regulator bax 0.0112 0.0724 0.1578
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0122 0.6496
Schistosoma mansoni importin beta-1 0.0035 0.0169 0.0368
Entamoeba histolytica Ran family GTPase 0.0026 0.0103 0.5499
Schistosoma mansoni ran 0.0026 0.0103 0.0225
Loa Loa (eye worm) hypothetical protein 0.0035 0.0169 0.0368
Onchocerca volvulus 0.0037 0.0187 0.0408
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0037 0.0187 0.0484
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0103 0.5499
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0103 0.5499
Echinococcus granulosus snurportin 1 0.0372 0.2583 0.2583
Trypanosoma brucei oxidoreductase-like protein 0.0037 0.0187 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0037 0.0187 0.0187
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.1407 1 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0122 0.0314
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0103 0.0266
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0037 0.0187 0.0408
Plasmodium falciparum enoyl-acyl carrier reductase 0.0552 0.3877 1
Loa Loa (eye worm) apoptosis regulator protein 0.0112 0.0724 0.1578
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0187 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0037 0.0187 0.0408
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0112 0.0724 0.1578
Echinococcus granulosus importin subunit beta 1 0.0035 0.0169 0.0169
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0103 0.0225
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0112 0.0724 0.0724
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0037 0.0187 0.0484
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0103 0.5499
Loa Loa (eye worm) hypothetical protein 0.0112 0.0724 0.1578
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0112 0.0724 0.0724
Leishmania major GTP-binding protein, putative 0.0026 0.0103 0.5499
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0552 0.3877 0.8677
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0169 0.0436

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

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

No literature references available for this target.

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