Detailed information for compound 1195756

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 509.506 | Formula: C26H40INO
  • H donors: 1 H acceptors: 1 LogP: 8.94 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccc(cc1)I
  • InChi: 1S/C26H40INO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)28-23-22-24-18-20-25(27)21-19-24/h6-7,9-10,18-21H,2-5,8,11-17,22-23H2,1H3,(H,28,29)/b7-6-,10-9-
  • InChiKey: NDZDLQVZQHTEGE-HZJYTTRNSA-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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1156 0.4112
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0259 0.0253
Loa Loa (eye worm) hypothetical protein 0.0014 0.0006 0.0022
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0181 0.057
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0259 0.0253
Schistosoma mansoni hypothetical protein 0.0035 0.0259 0.0094
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0047 0.0412 1
Echinococcus multilocularis GPCR, family 2 0.0035 0.0259 0.0253
Echinococcus granulosus neuropeptide s receptor 0.0533 0.625 0.7363
Echinococcus multilocularis ornithine aminotransferase 0.0047 0.0412 0.0406
Echinococcus multilocularis neuropeptide receptor A26 0.0533 0.625 0.6248
Brugia malayi follicle stimulating hormone receptor 0.0244 0.2777 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0256 0.009
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0181 0.0652
Mycobacterium tuberculosis Probable aminotransferase 0.0333 0.3847 1
Mycobacterium ulcerans hypothetical protein 0.0333 0.3847 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.009
Plasmodium falciparum ornithine aminotransferase 0.0047 0.0412 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1156 0.4112
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0256 0.0249
Echinococcus multilocularis microtubule associated protein 2 0.0719 0.8487 0.8486
Echinococcus multilocularis musashi 0.0028 0.0181 0.0175
Echinococcus granulosus intermediate filament protein 0.0028 0.0181 0.0206
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0024 0.0087
Loa Loa (eye worm) hypothetical protein 0.0034 0.0256 0.092
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0259 0.0931
Echinococcus granulosus GPCR family 2 0.0035 0.0259 0.0298
Loa Loa (eye worm) hypothetical protein 0.0028 0.0181 0.0652
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.009
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0047 0.0412 0.0279
Brugia malayi Pre-SET motif family protein 0.0239 0.2718 0.9785
Echinococcus granulosus lamin 0.0028 0.0181 0.0206
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0047 0.0412 0.5
Onchocerca volvulus 0.0272 0.3115 1
Echinococcus multilocularis lamin 0.0028 0.0181 0.0175
Schistosoma mansoni hypothetical protein 0.0035 0.0259 0.0094
Brugia malayi intermediate filament protein 0.0028 0.0181 0.057
Echinococcus multilocularis neuropeptide s receptor 0.0533 0.625 0.6248
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0333 0.3847 1
Brugia malayi Pre-SET motif family protein 0.0034 0.0256 0.0841
Schistosoma mansoni microtubule-associated protein tau 0.0719 0.8487 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0741 0.2667
Echinococcus granulosus microtubule associated protein 2 0.0719 0.8487 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0181 0.0652
Echinococcus multilocularis lamin dm0 0.0028 0.0181 0.0175
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0259 0.0852
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0256 0.0249
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.024 0.0276
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0259 0.0298
Schistosoma mansoni hypothetical protein 0.0035 0.0259 0.0094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1156 0.4163
Plasmodium vivax ornithine aminotransferase, putative 0.0047 0.0412 1
Echinococcus granulosus neuropeptide receptor A26 0.0533 0.625 0.7363
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0259 0.0298
Loa Loa (eye worm) hypothetical protein 0.0035 0.0259 0.0931
Loa Loa (eye worm) hypothetical protein 0.0028 0.0175 0.0629
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.2777 1
Echinococcus multilocularis ornithine aminotransferase 0.0047 0.0412 0.0406
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0047 0.0412 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0259 0.0094
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0239 0.2718 0.9787
Echinococcus granulosus Aminotransferase class III 0.0047 0.0412 0.0479
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0047 0.0412 0.141
Echinococcus granulosus lamin dm0 0.0028 0.0181 0.0206
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0741 0.2603
Onchocerca volvulus 0.0034 0.0256 0.0254
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0333 0.3847 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0256 0.0294
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0333 0.3847 1
Schistosoma mansoni hypothetical protein 0.0075 0.0741 0.0674
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0333 0.3847 1
Echinococcus granulosus ornithine aminotransferase 0.0047 0.0412 0.0479
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0259 0.0852
Echinococcus multilocularis Aminotransferase class III 0.0047 0.0412 0.0406
Loa Loa (eye worm) hypothetical protein 0.0109 0.1156 0.4163
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.009

Activities

No activities found for this compound.

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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