Detailed information for compound 1789375

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.512 | Formula: C20H26N4S
  • H donors: 1 H acceptors: 0 LogP: 4.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=c1n(CNc2ccccc2)nc(n1C)C12CC3CC(C2)CC(C1)C3
  • InChi: 1S/C20H26N4S/c1-23-18(20-10-14-7-15(11-20)9-16(8-14)12-20)22-24(19(23)25)13-21-17-5-3-2-4-6-17/h2-6,14-16,21H,7-13H2,1H3
  • InChiKey: YUFWZHXNFZLPLZ-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
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0091 0 0.5
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.082 0.8892 1
Entamoeba histolytica hypothetical protein 0.0091 0 0.5
Echinococcus multilocularis G protein coupled receptor kinase 6 0.082 0.8892 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0911 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0 0.5
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.082 0.8892 0.8892
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0027 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0091 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0027 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0091 0 0.5
Echinococcus granulosus beta-adrenergic receptor kinase 0.0093 0.0027 0.003
Echinococcus multilocularis beta adrenergic receptor kinase 0.0093 0.0027 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0091 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0911 1 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.082 0.8892 0.8892
Trichomonas vaginalis conserved hypothetical protein 0.0091 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0091 0 0.5
Entamoeba histolytica hypothetical protein 0.0091 0 0.5
Entamoeba histolytica hypothetical protein 0.0091 0 0.5
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.082 0.8892 0.8892
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0093 0.0027 0.0027

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) < 10 mm Antifungal activity against Candida albicans IFO 0583 assessed as growth inhibition at 200 ug/disc after 48 hrs by agar disc-diffusion method ChEMBL. 23973821
IZ (functional) < 10 mm Antibacterial activity against Escherichia coli IFO 3301 assessed as growth inhibition at 200 ug/disc after 24 hrs by agar disc-diffusion method ChEMBL. 23973821

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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