Detailed information for compound 1749675

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.393 | Formula: C15H18N4O4S
  • H donors: 4 H acceptors: 5 LogP: 0.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](C[C@@H]1O)c1nnc(s1)NC(=O)Nc1cccc(c1)C
  • InChi: 1S/C15H18N4O4S/c1-8-3-2-4-9(5-8)16-14(22)17-15-19-18-13(24-15)11-6-10(21)12(7-20)23-11/h2-5,10-12,20-21H,6-7H2,1H3,(H2,16,17,19,22)/t10-,11-,12+/m0/s1
  • InChiKey: XAWQTUPIKAVHDJ-SDDRHHMPSA-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
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0619 0.2969 1
Entamoeba histolytica hypothetical protein, conserved 0.0146 0.0248 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0146 0.0248 0.0834
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0146 0.0248 0.0834
Echinococcus multilocularis acylamino acid releasing enzyme 0.0146 0.0248 0.0248
Plasmodium falciparum peptidase, putative 0.0146 0.0248 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0146 0.0248 0.5
Echinococcus granulosus acylamino acid releasing enzyme 0.0146 0.0248 0.0248
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1841 1 1
Brugia malayi hypothetical protein 0.0473 0.213 0.213
Mycobacterium tuberculosis Probable peptidase 0.0146 0.0248 1
Leishmania major oligopeptidase b 0.0146 0.0248 0.0834
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0146 0.0248 0.0248
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0619 0.2969 0.2969
Brugia malayi prolyl oligopeptidase family protein 0.0146 0.0248 0.0248
Trypanosoma cruzi oligopeptidase b 0.0146 0.0248 0.0834
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0146 0.0248 0.0834
Giardia lamblia Alanyl dipeptidyl peptidase 0.0146 0.0248 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0146 0.0248 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0146 0.0248 0.5
Trypanosoma brucei oligopeptidase b 0.0146 0.0248 0.0834
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0146 0.0248 0.0248
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0619 0.2969 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0146 0.0248 0.0834
Toxoplasma gondii hypothetical protein 0.0146 0.0248 0.0834
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0146 0.0248 0.5
Echinococcus granulosus prolyl endopeptidase 0.0146 0.0248 0.0248
Trypanosoma cruzi prolyl endopeptidase 0.0146 0.0248 0.0834
Brugia malayi prolyl oligopeptidase family protein 0.0619 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0146 0.0248 0.0248
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0146 0.0248 0.0248
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1841 1 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0146 0.0248 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1841 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0146 0.0248 0.0834
Trypanosoma brucei prolyl endopeptidase 0.0146 0.0248 0.0834
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0619 0.2969 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0248 0.0248
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1841 1 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0146 0.0248 0.0834
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0146 0.0248 0.0834
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0619 0.2969 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0619 0.2969 0.2969
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0146 0.0248 0.0834
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0146 0.0248 0.5
Loa Loa (eye worm) hypothetical protein 0.0473 0.213 0.213
Brugia malayi prolyl oligopeptidase family protein 0.0146 0.0248 0.0248
Plasmodium vivax hypothetical protein, conserved 0.0146 0.0248 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0146 0.0248 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0146 0.0248 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0146 0.0248 0.0248
Loa Loa (eye worm) prolyl oligopeptidase 0.0146 0.0248 0.0248
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0146 0.0248 0.0834
Toxoplasma gondii prolyl endopeptidase 0.0146 0.0248 0.0834
Echinococcus granulosus Dipeptidyl peptidase 9 0.0619 0.2969 0.2969
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0146 0.0248 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0619 0.2969 1
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.0248 0.5
Echinococcus multilocularis prolyl endopeptidase 0.0146 0.0248 0.0248
Trypanosoma cruzi oligopeptidase b 0.0146 0.0248 0.0834
Loa Loa (eye worm) prolyl oligopeptidase 0.1841 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0146 0.0248 0.0834
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0146 0.0248 0.0248
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0146 0.0248 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0619 0.2969 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0146 0.0248 0.5
Loa Loa (eye worm) hypothetical protein 0.0146 0.0248 0.0248

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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