Detailed information for compound 1797438

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 492.82 | Formula: C31H60N2O2
  • H donors: 1 H acceptors: 1 LogP: 11.58 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCCO/N=C\1/CCCCCCCCCCC(=O)NCCC1
  • InChi: 1S/C31H60N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-29-35-33-30-25-21-18-15-12-13-16-19-22-27-31(34)32-28-24-26-30/h2-29H2,1H3,(H,32,34)/b33-30-
  • InChiKey: OYYPSNJILCVPQY-MEIHLTSWSA-N  

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
Loa Loa (eye worm) TK/ROR protein kinase 0.0055 0.0109 0.0109
Brugia malayi Protein kinase domain containing protein 0.0055 0.0109 0.0109
Leishmania major hypothetical protein, conserved 0.0055 0.0109 1
Toxoplasma gondii PAN domain-containing protein 0.0635 0.6823 1
Brugia malayi Trypsin family protein 0.0225 0.2073 0.2073
Loa Loa (eye worm) hypothetical protein 0.0225 0.2073 0.2073
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.091 1 1
Trypanosoma brucei protein tyrosine phosphatase 1 0.0046 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0109 0.0109
Loa Loa (eye worm) protein-tyrosine phosphatase 0.091 1 1
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0046 0 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0225 0.2073 0.2073
Loa Loa (eye worm) hypothetical protein 0.0225 0.2073 0.2073
Brugia malayi Kringle domain containing protein 0.0055 0.0109 0.0109
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.091 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.091 1 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0055 0.0109 0.5
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.091 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.091 1 1
Toxoplasma gondii PAN domain-containing protein 0.0635 0.6823 1
Echinococcus granulosus tissue type plasminogen activator 0.0055 0.0109 0.0109
Trichomonas vaginalis pten, drome, putative 0.0046 0 0.5
Giardia lamblia Protein tyrosine phosphatase 0.0046 0 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0046 0 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0055 0.0109 0.0109
Onchocerca volvulus 0.0225 0.2073 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0109 0.0109
Onchocerca volvulus 0.0055 0.0109 0.0524
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0055 0.0109 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0225 0.2073 0.2073
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0046 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0055 0.0109 1
Onchocerca volvulus 0.019 0.1668 0.8046

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.