Detailed information for compound 1842087

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 875.129 | Formula: C50H62N6O6S
  • H donors: 2 H acceptors: 4 LogP: 8.9 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: N/C(=N/S(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)/NCCC[C@@H]1N(Cc2ccccc2)[C@H](CCc2cn(c3c2cccc3)C(=O)OC(C)(C)C)CN(C1=O)Cc1ccccc1
  • InChi: 1S/C50H62N6O6S/c1-33-34(2)45(35(3)41-28-50(7,8)61-44(33)41)63(59,60)53-47(51)52-27-17-24-43-46(57)54(29-36-18-11-9-12-19-36)32-39(55(43)30-37-20-13-10-14-21-37)26-25-38-31-56(48(58)62-49(4,5)6)42-23-16-15-22-40(38)42/h9-16,18-23,31,39,43H,17,24-30,32H2,1-8H3,(H3,51,52,53)/t39-,43+/m1/s1
  • InChiKey: FWVMIUXAPQDHGF-CHGHPAACSA-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 0.045 0.4215 0.4215
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0976 1 1
Brugia malayi nicalin 0.045 0.4215 0.4215
Brugia malayi FXNA 0.045 0.4215 0.4215
Trypanosoma cruzi glutaminyl cyclase, putative 0.045 0.4215 1
Loa Loa (eye worm) hypothetical protein 0.045 0.4215 0.4215
Trichomonas vaginalis conserved hypothetical protein 0.045 0.4215 0.5
Leishmania major hypothetical protein, conserved 0.045 0.4215 1
Toxoplasma gondii peptidase, M28 family protein 0.045 0.4215 0.5
Loa Loa (eye worm) hypothetical protein 0.0976 1 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0976 1 1
Trichomonas vaginalis conserved hypothetical protein 0.045 0.4215 0.5
Mycobacterium tuberculosis Conserved protein 0.045 0.4215 0.5
Loa Loa (eye worm) leucyl aminopeptidase 0.045 0.4215 0.4215
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.045 0.4215 0.5
Trichomonas vaginalis conserved hypothetical protein 0.045 0.4215 0.5
Loa Loa (eye worm) hypothetical protein 0.045 0.4215 0.4215
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.045 0.4215 0.5
Brugia malayi leucyl aminopeptidase 0.045 0.4215 0.4215
Trypanosoma brucei glutaminyl cyclase, putative 0.045 0.4215 1
Toxoplasma gondii hypothetical protein 0.045 0.4215 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.045 0.4215 1
Leishmania major glutaminyl cyclase, putative 0.045 0.4215 1
Loa Loa (eye worm) hypothetical protein 0.045 0.4215 0.4215
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0976 1 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.0976 1 1
Mycobacterium ulcerans hypothetical protein 0.045 0.4215 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.045 0.4215 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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