Detailed information for compound 1121697

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.418 | Formula: C14H14N4S2
  • H donors: 0 H acceptors: 3 LogP: 3.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1csc(n1)c1nnc(n1c1ccccc1)S)C
  • InChi: 1S/C14H14N4S2/c1-9(2)11-8-20-13(15-11)12-16-17-14(19)18(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,19)
  • InChiKey: SAFUTMRAIHMVHA-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
Loa Loa (eye worm) calcium channel 0.0101 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0101 1 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0101 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0101 1 1
Echinococcus multilocularis voltage dependent calcium channel 0.0101 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 1 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0101 1 1
Echinococcus granulosus amyloid beta A4 protein 0.0072 0.6392 0.6392
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.604 0.5401
Toxoplasma gondii small ubiquitin family modifier, putative 0.0032 0.1389 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0101 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1389 0.5
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0043 0.2717 0.2717
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.604 0.604
Echinococcus multilocularis voltage dependent calcium channel 0.0101 1 1
Loa Loa (eye worm) X11 protein 0.0072 0.6392 0.6392
Echinococcus granulosus transcription factor Dp 1 0.004 0.2381 0.2381
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.604 1
Echinococcus multilocularis transcription factor Dp 1 0.004 0.2381 0.1151
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0101 1 1
Echinococcus granulosus voltage dependent calcium channel 0.0101 1 1
Plasmodium vivax small ubiquitin-related modifier, putative 0.0032 0.1389 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.604 1
Echinococcus multilocularis sodium channel protein 0.0043 0.2717 0.1542
Loa Loa (eye worm) SMO-1 protein 0.0032 0.1389 0.1389
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.604 0.604
Giardia lamblia Sentrin 0.0032 0.1389 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.604 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.604 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.604 0.5401
Plasmodium falciparum small ubiquitin-related modifier 0.0032 0.1389 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.6038 0.6038
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0101 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.604 1
Echinococcus granulosus Small ubiquitin modifier 2 0.0032 0.1389 0.1389
Echinococcus multilocularis amyloid beta A4 protein 0.0072 0.6392 0.581
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0065 0.5437 0.4701
Schistosoma mansoni amyloid beta A4 protein related 0.0072 0.6392 0.581
Brugia malayi hypothetical protein 0.0069 0.6038 0.5399
Schistosoma mansoni voltage-gated cation channel 0.0101 1 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0101 1 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.604 0.5401
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0061 0.5046 0.7862
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0101 1 1
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0061 0.5046 0.7862

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae ATCC 9763 after 24 hrs by broth microdilution assay ChEMBL. 20149496
MIC (functional) = 16 ug ml-1 Antimicrobial activity against Escherichia coli ATCC 10536 after 24 hrs by broth microdilution assay ChEMBL. 20149496
MIC (functional) = 31.25 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 21 days by broth dilution assay ChEMBL. 20149496

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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