Detailed information for compound 1012267

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 525.597 | Formula: C27H45NO5P2
  • H donors: 3 H acceptors: 5 LogP: 2.24 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: C/C(=C\CN(Cc1ccccc1)CCP(=O)(C(P(=O)(O)O)(C)C)O)/CC/C=C(/CCC=C(C)C)\C
  • InChi: 1S/C27H45NO5P2/c1-23(2)12-10-13-24(3)14-11-15-25(4)18-19-28(22-26-16-8-7-9-17-26)20-21-34(29,30)27(5,6)35(31,32)33/h7-9,12,14,16-18H,10-11,13,15,19-22H2,1-6H3,(H,29,30)(H2,31,32,33)/b24-14+,25-18+
  • InChiKey: JSOKBWBUFQHMAK-DFYPRORVSA-N  


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
Loa Loa (eye worm) prolyl oligopeptidase 0.0358 0.9183 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0358 0.9183 0.9019
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0129 0.1678 0.6644
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0383 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0358 0.9183 0.9019
Trypanosoma cruzi prolyl endopeptidase 0.0155 0.2525 1
Brugia malayi prolyl oligopeptidase family protein 0.0155 0.2525 0.2469
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0155 0.2525 0.1018
Trypanosoma brucei prolyl endopeptidase 0.0155 0.2525 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0155 0.2525 0.1018
Echinococcus granulosus prolyl endopeptidase 0.0155 0.2525 0.1018
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0129 0.1678 0.6644
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0078 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.2525 0.2469
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0129 0.1678 0.6644
Toxoplasma gondii prolyl endopeptidase 0.0155 0.2525 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0358 0.9183 0.9019
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.1189 1
Brugia malayi prolyl oligopeptidase family protein 0.0358 0.9183 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0155 0.2525 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0129 0.1678 0.6644
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0078 0 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0129 0.1678 0.6644
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.1678 0.1511
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0358 0.9183 1
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0383 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0155 0.2525 0.1018

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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