Detailed information for compound 285889

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 604.673 | Formula: C27H49N4O9P
  • H donors: 1 H acceptors: 6 LogP: 0.4 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[N+](CC[N+](CC)(CC)CC)(CCCCC(=O)OC1CC(OC1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O)CC
  • InChi: 1S/C27H49N4O9P/c1-7-30(8-2,9-3)16-17-31(10-4,11-5)15-13-12-14-25(32)40-22-18-24(39-23(22)20-38-41(35,36)37)29-19-21(6)26(33)28-27(29)34/h19,22-24H,7-18,20H2,1-6H3,(H-2,28,33,34,35,36,37)
  • InChiKey: JJEDGFIYWWCVMY-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0163 1 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0163 1 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0163 1 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0163 1 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0163 1 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0163 1 0.5
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0163 1 0.5
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0163 1 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0163 1 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0163 1 0.5
Echinococcus granulosus lysosomal protective protein 0.0163 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0163 1 0.5
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0163 1 0.5
Echinococcus multilocularis lysosomal protective protein 0.0163 1 1

Activities

Activity type Activity value Assay description Source Reference
Incorporation rate (functional) = 171 c.p.m. hr-1 Effect of the compound on DNA synthesis in mouse LM(TK-) cells blocked in DNA synthesis with Aminopterin at 10e-4 M ChEMBL. 3701790
Incorporation rate (functional) = 673 c.p.m. hr-1 Rate of incorporation of [3H]-dC into DNA in mouse L929 cells at 10e-4 concentration; units=cpm/hx 5*10e5 cells ChEMBL. 3701790
Incorporation rate (functional) = 808 c.p.m. hr-1 Compound was evaluated for stimulation of DNA synthesis in L929 cells in the presence of 5'-NH2-dT ChEMBL. 3701790
Incorporation rate (functional) = 1103 c.p.m. hr-1 Rate of incorporation of [3H]-dC into DNA in mouse L929 cells at 10e-4 concentration; units=cpm/hx 5*10e5 cells ChEMBL. 3701790
Incorporation rate (functional) = 5462 c.p.m. hr-1 Compound was evaluated for stimulation of DNA synthesis in L929 cells in the absence of 5'-NH2-dT ChEMBL. 3701790

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

1 literature reference was collected for this gene.

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