Detailed information for compound 267554

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.408 | Formula: C19H26O3
  • H donors: 0 H acceptors: 1 LogP: 6.08 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCOc1ccc(cc1)/C=C/C(=O)OC=C
  • InChi: 1S/C19H26O3/c1-3-5-6-7-8-9-16-22-18-13-10-17(11-14-18)12-15-19(20)21-4-2/h4,10-15H,2-3,5-9,16H2,1H3/b15-12+
  • InChiKey: BSJDDNSJKYRZDJ-NTCAYCPXSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0126 0.2492 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0112 0.2048 0.8221
Echinococcus multilocularis purine nucleoside phosphorylase 0.0126 0.2492 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.01 0.1684 0.6757
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0083 0.0331
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.01 0.1684 0.6757
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0126 0.2492 1
Mycobacterium ulcerans thymidylate synthase 0.0112 0.2048 0.8221
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0158 0.3459 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0112 0.2048 0.8221
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0158 0.3459 0.5
Schistosoma mansoni purine nucleoside phosphorylase 0.0126 0.2492 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0126 0.2492 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0126 0.2492 1
Echinococcus granulosus thymidylate synthase 0.0112 0.2048 0.8221
Echinococcus multilocularis purine nucleoside phosphorylase 0.0126 0.2492 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0158 0.3459 0.5
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0112 0.2048 0.8221
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0126 0.2492 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.01 0.1684 0.6757
Brugia malayi MH2 domain containing protein 0.0116 0.2165 0.8689
Loa Loa (eye worm) thymidylate synthase 0.0112 0.2048 0.9461
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2165 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0083 0.0381
Echinococcus multilocularis purine nucleoside phosphorylase 0.0126 0.2492 1
Chlamydia trachomatis dihydrofolate reductase 0.0046 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0083 0.0331
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2165 1
Brugia malayi thymidylate synthase 0.0112 0.2048 0.8221
Echinococcus multilocularis purine nucleoside phosphorylase 0.0126 0.2492 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Loa Loa (eye worm) hypothetical protein 0.01 0.1684 0.7777
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0126 0.2492 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0126 0.2492 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0126 0.2492 1
Mycobacterium tuberculosis Hypothetical protein 0.0053 0.0235 0.0943
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0158 0.3459 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0126 0.2492 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0083 0.0381
Brugia malayi hypothetical protein 0.0053 0.0235 0.0943
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0158 0.3459 0.5
Echinococcus multilocularis thymidylate synthase 0.0112 0.2048 0.8221
Echinococcus multilocularis purine nucleoside phosphorylase 0.0126 0.2492 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0158 0.3459 0.5

Activities

Activity type Activity value Assay description Source Reference
Decrease (functional) = -6 % Hypolipidemic activity, expressed as percent decrease in serum cholesterol in rat, at dosage of 100 mg for 7 days by Zak et al method ChEMBL. 7359513

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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