Detailed information for compound 1782414

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.541 | Formula: C18H16N4OS3
  • H donors: 1 H acceptors: 3 LogP: 4.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nc2c(s1)c1sc(nc1cc2)NC(=O)c1cccc(c1)N(C)C
  • InChi: 1S/C18H16N4OS3/c1-22(2)11-6-4-5-10(9-11)16(23)21-17-19-12-7-8-13-15(14(12)25-17)26-18(20-13)24-3/h4-9H,1-3H3,(H,19,21,23)
  • InChiKey: VSNRYZZJGBPTET-UHFFFAOYSA-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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0416 0.1057
Brugia malayi hypothetical protein 0.0039 0.0152 0.0387
Toxoplasma gondii CAAX amino terminal protease family protein 0.0037 0.0099 0.5
Echinococcus granulosus expressed conserved protein 0.0099 0.1802 0.1675
Brugia malayi CHE-14 protein 0.0045 0.0335 0.0853
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.1976 0.4898
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.2021 0.2373
Entamoeba histolytica hypothetical protein 0.0039 0.0152 0.014
Echinococcus multilocularis expressed protein 0.0401 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0416 0.1057
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.1976 0.1852
Toxoplasma gondii hypothetical protein 0.0037 0.0099 0.5
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0178 0.3932 0.4618
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0335 0.0186
Schistosoma mansoni patched 1 0.0045 0.0335 0.0394
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.321 0.3105
Plasmodium falciparum protease, putative 0.0037 0.0099 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0037 0.0099 0.5
Mycobacterium ulcerans hypothetical protein 0.0037 0.0099 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.0152 0.014
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0335 0.0853
Chlamydia trachomatis hypothetical protein 0.0037 0.0099 0.5
Echinococcus multilocularis CAAX prenyl protease 2 0.0178 0.3932 0.3839
Loa Loa (eye worm) hypothetical protein 0.0178 0.3932 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.1586 0.1862
Plasmodium vivax protease, putative 0.0037 0.0099 0.5
Echinococcus granulosus CAAX prenyl protease 2 0.0178 0.3932 0.3839
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0178 0.3932 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.1976 0.1852
Treponema pallidum hypothetical protein 0.0037 0.0099 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.1586 0.1862
Entamoeba histolytica hypothetical protein 0.0039 0.0152 0.014
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0335 0.0186
Loa Loa (eye worm) hypothetical protein 0.0091 0.1586 0.4033
Schistosoma mansoni hypothetical protein 0.0346 0.8516 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0613 0.1559
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.1976 0.5026
Loa Loa (eye worm) hypothetical protein 0.0045 0.0335 0.0853
Toxoplasma gondii hypothetical protein 0.0037 0.0099 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.0152 0.014
Loa Loa (eye worm) hypothetical protein 0.0091 0.1586 0.4033
Mycobacterium tuberculosis Probable integral membrane protein 0.0037 0.0099 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0416 0.1057
Echinococcus multilocularis protein dispatched 1 0.0052 0.051 0.0363
Schistosoma mansoni hypothetical protein 0.0346 0.8516 1
Echinococcus multilocularis protein patched 0.0045 0.0335 0.0186
Brugia malayi CAAX amino terminal protease family protein 0.0178 0.3932 1
Onchocerca volvulus 0.0091 0.1586 1
Schistosoma mansoni hypothetical protein 0.0044 0.0291 0.0342
Entamoeba histolytica CAAX prenyl protease family 0.0178 0.3932 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0178 0.3932 0.5
Mycobacterium ulcerans integral membrane protein 0.0037 0.0099 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.0152 0.0179
Giardia lamblia Hypothetical protein 0.0178 0.3932 0.5
Echinococcus granulosus geminin 0.0346 0.8516 0.8493
Echinococcus multilocularis geminin 0.0346 0.8516 0.8493
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0037 0.0099 0.5
Mycobacterium ulcerans hypothetical protein 0.0037 0.0099 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0152 0.0179
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0335 0.0186
Brugia malayi Trypsin family protein 0.0091 0.1586 0.4033
Schistosoma mansoni hypothetical protein 0.0044 0.0291 0.0342
Schistosoma mansoni hypothetical protein 0.0044 0.0291 0.0342
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0178 0.3932 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.1976 0.5026
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0178 0.3932 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0178 0.3932 0.5
Echinococcus multilocularis expressed conserved protein 0.0099 0.1802 0.1675
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0178 0.3932 0.4618
Schistosoma mansoni hypothetical protein 0.0044 0.0291 0.0342
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0037 0.0099 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.321 0.3105
Loa Loa (eye worm) hypothetical protein 0.0048 0.0416 0.1057

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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