Detailed information for compound 54857

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 208.28 | Formula: C10H12N2OS
  • H donors: 1 H acceptors: 1 LogP: 2.04 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSC1CN(NC1=O)c1ccccc1
  • InChi: 1S/C10H12N2OS/c1-14-9-7-12(11-10(9)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)
  • InChiKey: FWCDLXJKEMZLGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
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 Eukaryotic initiation factor 4A-1 0.0139 0.9117 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0139 0.9117 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0139 0.9117 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0139 0.9117 0.9117
Plasmodium vivax RNA helicase-1, putative 0.0139 0.9117 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0139 0.9117 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0139 0.9117 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0139 0.9117 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0139 0.9117 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 1 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0139 0.9117 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0139 0.9117 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0139 0.9117 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0139 0.9117 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0139 0.9117 0.5
Schistosoma mansoni lipoxygenase 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.9117 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0139 0.9117 0.9117
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0139 0.9117 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0139 0.9117 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0139 0.9117 0.5
Brugia malayi eukaryotic initiation factor 4A 0.0139 0.9117 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.32 uM In vitro inhibition of rat 5-Lipoxygenase ChEMBL. 1903450
IC50 (binding) = 0.32 uM In vitro inhibition of rat 5-Lipoxygenase ChEMBL. 1903450
logP (ADMET) = 1.974 Partition coefficient (logP) ChEMBL. 1903450

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.