Detailed information for compound 31664

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.397 | Formula: C14H19N5O3S
  • H donors: 3 H acceptors: 2 LogP: -0.23 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC/N=C(/Nc1scc(n1)c1ccc(o1)CNC(=O)C)\N
  • InChi: 1S/C14H19N5O3S/c1-9(20)17-7-10-3-4-12(22-10)11-8-23-14(18-11)19-13(15)16-5-6-21-2/h3-4,8H,5-7H2,1-2H3,(H,17,20)(H3,15,16,18,19)
  • InChiKey: GQJZFZVFVNHTAX-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
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0223 0.1462 0.5
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0695 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0178 0.0659 0.0659
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0523 0.6904 0.6904
Loa Loa (eye worm) hypothetical protein 0.0523 0.6904 0.6904
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0223 0.1462 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0695 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0178 0.0659 0.0659
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0178 0.0659 0.0659
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0223 0.1462 0.1462
Echinococcus granulosus proteasome prosome macropain 0.0223 0.1462 0.1462
Leishmania major hypothetical protein, conserved 0.0695 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.0223 0.1462 0.1462
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0523 0.6904 0.6904
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0178 0.0659 0.0659
Loa Loa (eye worm) TK/ROR protein kinase 0.0695 1 1
Onchocerca volvulus 0.0382 0.4341 0.4341
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0178 0.0659 0.0659
Brugia malayi Kringle domain containing protein 0.0695 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0223 0.1462 0.5
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0223 0.1462 0.1462
Loa Loa (eye worm) hypothetical protein 0.0695 1 1
Mycobacterium ulcerans proteasome PrcB 0.0223 0.1462 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0223 0.1462 0.1462
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0223 0.1462 0.5
Echinococcus granulosus tissue type plasminogen activator 0.0695 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0223 0.1462 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0178 0.0659 0.0659
Schistosoma mansoni hypothetical protein 0.0695 1 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0695 1 1
Toxoplasma gondii kringle domain-containing protein 0.0695 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.0695 1 1
Loa Loa (eye worm) hypothetical protein 0.0523 0.6904 0.6904
Brugia malayi Trypsin family protein 0.0523 0.6904 0.6904
Onchocerca volvulus 0.0695 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0223 0.1462 0.5
Onchocerca volvulus 0.0523 0.6904 0.6904

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1.45 ug ml-1 Compound was evaluated for antimicrobial activity against Helicobacter pylori ChEMBL. 9871756

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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