Detailed information for compound 458255

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.325 | Formula: C13H12N4O2S
  • H donors: 1 H acceptors: 5 LogP: 2.67 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nnnc2c1sc1c2c2CCCCc2c(n1)O
  • InChi: 1S/C13H12N4O2S/c1-19-12-10-9(15-17-16-12)8-6-4-2-3-5-7(6)11(18)14-13(8)20-10/h2-5H2,1H3,(H,14,18)
  • InChiKey: GCOQDAXRGKBPSD-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 Aph-1 protein, putative 0.437 0.3566 1
Echinococcus granulosus presenilin enhancer 2 0.3021 0.2298 0.2298
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.3218 0.2484 1
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.3218 0.2484 0.6965
Brugia malayi hypothetical protein 0.1569 0.0933 0.0438
Echinococcus multilocularis gamma secretase subunit aph 1 1.1214 1 1
Schistosoma mansoni gamma-secretase subunit aph-1 1.1214 1 1
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0909 0.0313 0.0877
Brugia malayi Amyloid A4 extracellular domain containing protein 0.2226 0.155 0.1089
Echinococcus multilocularis Nicastrin 0.1569 0.0933 0.0933
Echinococcus multilocularis presenilin enhancer 2 0.3021 0.2298 0.2298
Brugia malayi gamma-secretase subunit pen-2 0.3021 0.2298 0.1877
Echinococcus granulosus presenilin 0.3218 0.2484 0.2484
Loa Loa (eye worm) gamma-secretase subunit aph-1 1.1214 1 1
Echinococcus granulosus gamma secretase subunit aph 1 1.1214 1 1
Trypanosoma cruzi Aph-1 protein, putative 0.437 0.3566 1
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.3218 0.2484 1
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.3218 0.2484 1
Echinococcus multilocularis presenilin 0.3218 0.2484 0.2484
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.3218 0.2484 0.6965
Schistosoma mansoni hypothetical protein 0.1569 0.0933 0.0728
Echinococcus granulosus Nicastrin 0.1569 0.0933 0.0933
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.3218 0.2484 0.6965
Loa Loa (eye worm) hypothetical protein 0.1754 0.1107 0.079
Trypanosoma cruzi Aph-1 protein, putative 0.437 0.3566 1
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.3218 0.2484 0.2314
Echinococcus multilocularis Nicastrin 0.1569 0.0933 0.0933
Loa Loa (eye worm) presenilin spe-4 0.1127 0.0518 0.018
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.3218 0.2484 1
Toxoplasma gondii hypothetical protein 0.1127 0.0518 1
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.3021 0.2298 0.2023
Brugia malayi hypothetical protein 0.1569 0.0933 0.0438
Entamoeba histolytica presenilin 1 peptidase, putative 0.3218 0.2484 1
Loa Loa (eye worm) hypothetical protein 0.1569 0.0933 0.061
Brugia malayi Presenilin family protein 0.3218 0.2484 0.2073

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % Antifungal activity against Erysiphe graminis f. sp. tritici at 100 mg/mL relative to control ChEMBL. 17656087

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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