Detailed information for compound 1721053

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.212 | Formula: C12H21IN2O2
  • H donors: 1 H acceptors: 1 LogP: 1.38 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)[N+]1(C)C.[I-]
  • InChi: 1S/C12H21N2O2.HI/c1-14(2)10-3-4-11(14)7-12(6-10)5-9(8-15)13-16-12;/h10-11,15H,3-8H2,1-2H3;1H/q+1;/p-1/t10-,11+,12-;
  • InChiKey: ITNDWBZLTQDANC-XSYYVRJTSA-M  


Substructure search Similarity search

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 0.0101 0.288 0.5593
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0729 0.1416
Loa Loa (eye worm) hypothetical protein 0.0069 0.1885 0.366
Mycobacterium ulcerans hypothetical protein 0.0331 1 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0047 0.1193 0.2317
Echinococcus granulosus ornithine aminotransferase 0.0047 0.1193 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0729 0.1416
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0174 0.515 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0331 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.288 0.5593
Schistosoma mansoni hypothetical protein 0.0032 0.0729 0.3869
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0331 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.288 0.5593
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0047 0.1193 1
Schistosoma mansoni hypothetical protein 0.0032 0.0729 0.3869
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0047 0.1193 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0047 0.1193 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.1885 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0331 1 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0729 0.6112
Echinococcus multilocularis ornithine aminotransferase 0.0047 0.1193 1
Brugia malayi N-terminal motif family protein 0.0174 0.515 1
Echinococcus granulosus GPCR family 2 0.0032 0.0729 0.6112
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0047 0.1193 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0729 0.6112
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1885 0.366
Plasmodium falciparum ornithine aminotransferase 0.0047 0.1193 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.288 0.5593
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0729 0.6112
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0047 0.1193 0.633
Echinococcus multilocularis ornithine aminotransferase 0.0047 0.1193 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0729 0.6112
Schistosoma mansoni hypothetical protein 0.0032 0.0729 0.3869
Loa Loa (eye worm) hypothetical protein 0.0032 0.0729 0.1416
Mycobacterium tuberculosis Probable aminotransferase 0.0331 1 1
Echinococcus granulosus Aminotransferase class III 0.0047 0.1193 1
Echinococcus multilocularis Aminotransferase class III 0.0047 0.1193 1
Schistosoma mansoni hypothetical protein 0.0032 0.0729 0.3869
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0729 0.6112
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0729 0.1416
Loa Loa (eye worm) hypothetical protein 0.0174 0.515 1

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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