Detailed information for compound 1430124

Basic information

Technical information
  • TDR Targets ID: 1430124
  • Name: prop-2-enyl 2-(3-methylbutoxy)acetate
  • MW: 186.248 | Formula: C10H18O3
  • H donors: 0 H acceptors: 1 LogP: 2.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOC(=O)COCCC(C)C
  • InChi: 1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3
  • InChiKey: XCWPXUNHSPOFGV-UHFFFAOYSA-N  

Network

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Synonyms

  • allyl 2-isopentyloxyacetate
  • 2-isopentyloxyacetic acid allyl ester
  • 2-isoamoxyacetic acid allyl ester
  • prop-2-enyl 2-(3-methylbutoxy)ethanoate
  • 67634-00-8
  • Acetic acid, (3-methylbutoxy)-, 2-propenyl ester
  • Allyl (3-methylbutoxy)acetate
  • EINECS 266-803-5
  • Glycolic acid 2-pentyloxy allyl ester
  • Glycolic acid 2-pentyloxy allyl ester (natural)
  • Isoamyloxyacetic acid, allyl ester
  • (3-Methylbutoxy)acetic acid, 2-propenyl ester
  • W516708_ALDRICH
  • Allyl isoamyl glycolate
  • NCGC00091840-01
  • 3-Methylbutoxy;acetic acid, 2-propenyl ester

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
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0772 0.0772
Trypanosoma brucei hypothetical protein, conserved 0.0102 0.0772 0.0772
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0244 0.3896 0.3896
Echinococcus multilocularis histone deacetylase 7 0.0457 0.8603 0.8414
Echinococcus multilocularis histone deacetylase 8 0.0221 0.339 0.2496
Echinococcus granulosus histone deacetylase 6 0.0457 0.8603 0.8414
Plasmodium vivax histone deacetylase, putative 0.0422 0.7843 0.6467
Plasmodium falciparum histone deacetylase 1 0.052 1 1
Giardia lamblia Histone deacetylase 0.052 1 0.5
Schistosoma mansoni histone deacetylase 0.052 1 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0772 0.0772
Trypanosoma brucei histone deacetylase, putative 0.0457 0.8603 0.8603
Trypanosoma cruzi histone deacetylase, putative 0.0457 0.8603 0.8603
Trypanosoma cruzi histone deacetylase, putative 0.0221 0.339 0.339
Trichomonas vaginalis histone deacetylase, putative 0.052 1 1
Loa Loa (eye worm) hypothetical protein 0.0201 0.2964 0.2964
Trichomonas vaginalis histone deacetylase, putative 0.052 1 1
Trypanosoma brucei histone deacetylase 3 0.0457 0.8603 0.8603
Echinococcus granulosus histone deacetylase 8 0.0221 0.339 0.2496
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0121 0.1191 0.1191
Loa Loa (eye worm) histone deacetylase 0.0457 0.8603 0.8603
Leishmania major histone deacetylase, putative 0.0457 0.8603 0.8603
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.052 1 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0244 0.3896 0.307
Trypanosoma cruzi histone deacetylase, putative 0.0457 0.8603 0.8603
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.0102 0.0772 0.0772
Loa Loa (eye worm) histone deacetylase 11 0.0422 0.7843 0.7843
Toxoplasma gondii histone deacetylase HDAC4 0.0422 0.7843 0.6737
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0244 0.3896 0.307
Echinococcus multilocularis histone deacetylase 6 0.0457 0.8603 0.8414
Leishmania major histone deacetylase, putative 0.052 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0244 0.3896 0.3896
Echinococcus granulosus histone deacetylase 0.0457 0.8603 0.8414
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0244 0.3896 0.3896
Schistosoma mansoni histone deacetylase 4 5 0.0457 0.8603 0.8368
Leishmania major histone deacetylase, putative 0.052 1 1
Entamoeba histolytica histone deacetylase, putative 0.052 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0837 0.0837
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0244 0.3896 0.3896
Trypanosoma cruzi histone deacetylase, putative 0.0457 0.8603 0.8603
Trichomonas vaginalis histone deacetylase, putative 0.052 1 1
Echinococcus granulosus histone deacetylase 6 0.0457 0.8603 0.8414
Brugia malayi histone deacetylase 11 0.0422 0.7843 0.7843
Echinococcus multilocularis histone deacetylase 1 0.052 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.052 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0102 0.0772 0.0772
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0244 0.3896 0.3896
Schistosoma mansoni histone deacetylase 1 2 3 0.0221 0.339 0.2281
Trichomonas vaginalis histone deacetylase, putative 0.052 1 1
Echinococcus granulosus histone deacetylase 1 0.052 1 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.3724 0.3724
Brugia malayi Cytochrome P450 family protein 0.01 0.0723 0.0723
Trypanosoma cruzi histone deacetylase, putative 0.0221 0.339 0.339
Loa Loa (eye worm) histone deacetylase 7A 0.0457 0.8603 0.8603
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.052 1 1
Echinococcus multilocularis histone deacetylase 6 0.0457 0.8603 0.8414
Trypanosoma cruzi histone deacetylase 1, putative 0.052 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0067 0 0.5
Brugia malayi Histone deacetylase family protein 0.0457 0.8603 0.8603
Loa Loa (eye worm) hypothetical protein 0.0236 0.3724 0.3724
Plasmodium vivax histone deacetylase 2, putative 0.0457 0.8603 0.7711
Trypanosoma brucei histone deacetylase 4 0.0457 0.8603 0.8603
Plasmodium vivax histone deacetylase, putative 0.0457 0.8603 0.7711
Loa Loa (eye worm) histone deacetylase 3 0.052 1 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0772 0.0772
Loa Loa (eye worm) hypothetical protein 0.052 1 1
Plasmodium falciparum histone deacetylase, putative 0.0457 0.8603 0.7711
Schistosoma mansoni histone deacetylase 0.052 1 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0772 0.0772
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0244 0.3896 0.3896
Trypanosoma brucei histone deacetylase 1 0.052 1 1
Echinococcus granulosus histone deacetylase 3 0.052 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0121 0.1191 0.1191
Echinococcus granulosus histone deacetylase 6 0.0457 0.8603 0.8414
Plasmodium vivax histone deacetylase 1, putative 0.052 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.01 0.0723 0.0723
Echinococcus multilocularis histone deacetylase 6 0.0457 0.8603 0.8414
Loa Loa (eye worm) hypothetical protein 0.0221 0.339 0.339
Trypanosoma brucei histone deacetylase 2 0.0221 0.339 0.339
Toxoplasma gondii histone deacetylase HDAC3 0.052 1 1
Brugia malayi Histone deacetylase 1 0.052 1 1
Leishmania major histone deacetylase, putative 0.0457 0.8603 0.8603
Schistosoma mansoni histone deacetylase hda2 0.0221 0.339 0.2281
Toxoplasma gondii histone deacetylase HDAC1 0.0457 0.8603 0.7886
Echinococcus multilocularis histone deacetylase 3 0.052 1 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0244 0.3896 0.2871
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0244 0.3896 0.3206
Echinococcus multilocularis histone deacetylase 0.0457 0.8603 0.8414
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0244 0.3896 0.3206
Trypanosoma cruzi histone deacetylase 1, putative 0.052 1 1
Echinococcus granulosus histone deacetylase 7 0.0457 0.8603 0.8414
Toxoplasma gondii histone deacetylase HDAC2 0.052 1 1
Plasmodium falciparum histone deacetylase 2 0.0457 0.8603 0.7711
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0244 0.3896 0.3896
Loa Loa (eye worm) histone deacetylase 1 0.052 1 1
Trichomonas vaginalis histone deacetylase, putative 0.052 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.052 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0221 0.339 0.5
Schistosoma mansoni histone deacetylase hda2 0.0457 0.8603 0.8368
Brugia malayi Histone deacetylase family protein 0.0457 0.8603 0.8603
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0772 0.0772
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0244 0.3896 0.3896
Trichomonas vaginalis histone deacetylase, putative 0.052 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0457 0.8603 0.8368
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0244 0.3896 0.0765

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 42.1632 uM PubChem BioAssay. qHTS assay for small molecule antagonists of the retinoid-related orphan receptor gamma (ROR-gamma) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 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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