Detailed information for compound 1771210

Basic information

Technical information
  • TDR Targets ID: 1771210
  • Name: [(3S,4E,16E,18S)-18-acetyloxyicosa-4,16-dien- 1,19-diyn-3-yl] acetate
  • MW: 386.524 | Formula: C24H34O4
  • H donors: 0 H acceptors: 2 LogP: 6.51 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#C[C@@H](OC(=O)C)/C=C/CCCCCCCCCC/C=C/[C@H](OC(=O)C)C#C
  • InChi: 1S/C24H34O4/c1-5-23(27-21(3)25)19-17-15-13-11-9-7-8-10-12-14-16-18-20-24(6-2)28-22(4)26/h1-2,17-20,23-24H,7-16H2,3-4H3/b19-17+,20-18+/t23-,24-/m1/s1
  • InChiKey: VEKIJJQSZPGNBV-ZBZQUDOHSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [(1S,2E,14E,16S)-16-acetoxy-1-ethynyl-octadeca-2,14-dien-17-ynyl] acetate
  • acetic acid [(1S,2E,14E,16S)-16-acetoxy-1-ethynyloctadeca-2,14-dien-17-ynyl] ester
  • acetic acid [(1S,2E,14E,16S)-16-acetoxy-1-ethynyl-octadeca-2,14-dien-17-ynyl] ester
  • [(3S,4E,16E,18S)-18-acetyloxyicosa-4,16-dien-1,19-diyn-3-yl] ethanoate

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
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Onchocerca volvulus Putative 4.1 G protein 0.0273 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.2292 0.0922 0.0922
Loa Loa (eye worm) hypothetical protein 0.7668 0.3248 0.3248
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Trypanosoma cruzi hypothetical protein 0.0273 0.0048 0.5
Plasmodium falciparum tyrosine kinase-like protein 0.0214 0.0022 0.5
Onchocerca volvulus 0.0273 0.0048 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0048 0.5
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.2292 0.0922 0.0922
Onchocerca volvulus 0.0273 0.0048 0.5
Brugia malayi Ferm domain 0.0273 0.0048 0.0048
Brugia malayi GRP1 binding protein 0.0273 0.0048 0.0048
Echinococcus granulosus protein tyrosine kinase 2.2998 0.9882 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni Protein orai-1 0.7668 0.3248 0.3287
Schistosoma mansoni hypothetical protein 0.0682 0.0225 0.0228
Echinococcus granulosus calcium release activated calcium channel 0.7668 0.3248 0.3254
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Plasmodium falciparum protein kinase, putative 0.0214 0.0022 0.5
Brugia malayi MyTH4 domain containing protein 0.0273 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni tyrosine kinase 2.2998 0.9882 1
Loa Loa (eye worm) neurofibromin 2 isoform 8 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni Radixin 0.0273 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi Ferm domain (protein4.1-ezrin-radixin-moesin) family protein 4-like 0.0273 0.0048 0.0048
Trichomonas vaginalis protein MLP1, putative 0.0273 0.0048 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0048 0.5
Entamoeba histolytica filopodin, putative 0.0273 0.0048 0.5
Schistosoma mansoni hypothetical protein 0.0807 0.0279 0.0282
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Trypanosoma cruzi ribonuclease inhibitor, putative 0.0273 0.0048 0.5
Echinococcus granulosus stromal interaction molecule 1 0.1489 0.0574 0.0535
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi FERM domain 0.0273 0.0048 0.0048
Brugia malayi Talin 1 0.0273 0.0048 0.0048
Plasmodium vivax tyrosine kinase-like protein, putative 0.0214 0.0022 0.5
Brugia malayi Moesin/ezrin/radixin homolog 1 0.0273 0.0048 0.0048
Echinococcus multilocularis calcium release activated calcium channel 0.7668 0.3248 0.3254
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Trypanosoma cruzi ribonuclease inhibitor, putative 0.0273 0.0048 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0048 0.5
Echinococcus multilocularis protein tyrosine kinase 2.2998 0.9882 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni talin 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi Ferm domain 0.0273 0.0048 0.0048
Loa Loa (eye worm) TK/FAK protein kinase 2.3271 1 1
Entamoeba histolytica leucine-rich repeat containing protein 0.0273 0.0048 0.5
Brugia malayi neurofibromatosis homolog protein 1 0.0273 0.0048 0.0048
Schistosoma mansoni Protein orai-1 0.7668 0.3248 0.3287
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Onchocerca volvulus 0.0273 0.0048 0.5
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0273 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi hypothetical protein 0.1489 0.0574 0.0574
Brugia malayi hypothetical protein 0.7668 0.3248 0.3248
Brugia malayi Unc-112 related protein. 0.0273 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Loa Loa (eye worm) moesin 0.0273 0.0048 0.0048
Entamoeba histolytica filopodin, putative 0.0273 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi GH28553p 0.0273 0.0048 0.0048
Loa Loa (eye worm) MyTH4 domain-containing protein 0.0273 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.1489 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0273 0.0048 0.0048
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0273 0.0048 0.0048
Onchocerca volvulus 0.0273 0.0048 0.5
Schistosoma mansoni Band 4.1-like protein 0.0273 0.0048 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0048 0.5
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Onchocerca volvulus 0.0273 0.0048 0.5
Schistosoma mansoni talin 2 0.0273 0.0048 0.0048
Onchocerca volvulus 4.1 G protein, putative homolog 0.0273 0.0048 0.5
Brugia malayi protein-tyrosine-phosphatase 0.0273 0.0048 0.0048
Trypanosoma cruzi ribonuclease inhibitor, putative 0.0273 0.0048 0.5
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi hypothetical protein 0.0273 0.0048 0.0048
Echinococcus multilocularis stromal interaction molecule 1 0.1489 0.0574 0.0535
Schistosoma mansoni hypothetical protein 0.0273 0.0048 0.0048
Brugia malayi hypothetical protein 0.0273 0.0048 0.0048

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.5 uM Antiproliferative activity against human HeLa cells after 48 hrs by MTS assay ChEMBL. 23855338

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23855338

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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