Detailed information for compound 1891471

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.363 | Formula: C15H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.88 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCO[C@H]1[C@H]2N=N[C@H]([C@@H]1CCCCCCC(=O)O)C2
  • InChi: 1S/C15H24N2O3/c1-2-9-20-15-11(12-10-13(15)17-16-12)7-5-3-4-6-8-14(18)19/h2,11-13,15H,1,3-10H2,(H,18,19)/t11-,12-,13-,15+/m0/s1
  • InChiKey: MWXINCQLVMHVHL-PWNZVWSESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni hypothetical protein 0.0017 0.1838 0.1838
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.7377 1
Echinococcus granulosus GPCR family 2 0.0017 0.1838 0.3198
Schistosoma mansoni apoferritin-2 0.001 0.0767 0.0767
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0.0767 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.1838 0.1838
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.1838 0.1554
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0531 0.0531
Brugia malayi CXXC zinc finger family protein 0.0033 0.4331 0.5355
Echinococcus granulosus ferritin 0.001 0.0767 0.0579
Schistosoma mansoni ferritin light chain 0.001 0.0767 0.0767
Echinococcus multilocularis GPCR, family 2 0.0017 0.1838 0.3198
Onchocerca volvulus 0.0033 0.4331 0.5
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Schistosoma mansoni cpg binding protein 0.0035 0.4619 0.4619
Schistosoma mansoni ferritin light chain 0.001 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0017 0.1838 0.1528
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0.0767 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.4813 0.6079
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0767 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.7377 1
Schistosoma mansoni hypothetical protein 0.0017 0.1838 0.1838
Schistosoma mansoni hypothetical protein 0.0017 0.1838 0.1838
Trichomonas vaginalis ferritin, putative 0.001 0.0767 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.1838 0.1528
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.1838 0.3198
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.4331 0.5341
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.8854 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.4813 0.6091
Schistosoma mansoni hypothetical protein 0.0036 0.4813 0.4813
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.1838 0.3198
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.7377 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.7377 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.1838 0.3198
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0.0767 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0839 0.0754
Schistosoma mansoni apoferritin-2 0.001 0.0767 0.0767
Echinococcus multilocularis ferritin 0.001 0.0767 0.0579
Echinococcus multilocularis expressed protein 0.001 0.0767 0.0579
Echinococcus granulosus expressed protein 0.001 0.0767 0.0579
Schistosoma mansoni cpg binding protein 0.0035 0.4619 0.4619
Echinococcus granulosus cpg binding protein 0.0035 0.4619 1
Schistosoma mansoni cpg binding protein 0.0033 0.4331 0.4331
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0.0767 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0839 0.0754
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.1838 0.3198
Brugia malayi Latrophilin receptor protein 2 0.0017 0.1838 0.1554
Schistosoma mansoni ferritin 0.001 0.0767 0.0767
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0767 0.5
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0767 0.5
Echinococcus multilocularis cpg binding protein 0.0035 0.4619 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.