Detailed information for compound 516658

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.91 | Formula: C20H20ClN3OS
  • H donors: 1 H acceptors: 1 LogP: 4.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)Cc1cs/c(=N/c2ccc(cc2)Cl)/n1C
  • InChi: 1S/C20H20ClN3OS/c1-3-14-4-8-16(9-5-14)22-19(25)12-18-13-26-20(24(18)2)23-17-10-6-15(21)7-11-17/h4-11,13H,3,12H2,1-2H3,(H,22,25)/b23-20+
  • InChiKey: NAGDMFHEIIYSPD-BSYVCWPDSA-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
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0302 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.3116 0.3116
Leishmania major eukaryotic initiation factor 4a, putative 0.0302 1 0.5
Plasmodium vivax RNA helicase-1, putative 0.0302 1 0.5
Loa Loa (eye worm) integrin alpha pat-2 0.0233 0.7389 0.7389
Echinococcus multilocularis integrin alpha 3 0.0116 0.3012 0.2046
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.2124 0.1036
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.2124 0.1036
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.2124 0.1036
Loa Loa (eye worm) hypothetical protein 0.0083 0.1798 0.1798
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0302 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0302 1 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0302 1 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0302 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0302 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0302 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0302 1 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0302 1 0.5
Schistosoma mansoni integrin alpha 0.0151 0.433 0.433
Brugia malayi Integrin alpha pat-2 precursor 0.0151 0.433 0.1953
Plasmodium falciparum eukaryotic initiation factor 4A 0.0302 1 0.5
Echinococcus granulosus kelch ECH associated protein 1 0.0092 0.2124 0.1036
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0302 1 0.5
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.2124 0.1036
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0302 1 0.5
Echinococcus granulosus eukaryotic initiation factor 4A 0.0302 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.2954 0.2954
Echinococcus multilocularis Kelch repeat type 1 0.0092 0.2133 0.1047
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0302 1 0.5
Echinococcus granulosus integrin alpha 3 0.0116 0.3012 0.2046
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0302 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0302 1 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0302 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0302 1 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0302 1 0.5
Schistosoma mansoni integrin alpha-ps 0.0068 0.1214 0.1214
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0302 1 1
Schistosoma mansoni hypothetical protein 0.0092 0.2133 0.2133
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0302 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 2 Antifungal activity against Magnaporthe grisea infected rice plant assessed as logarithm of fungal control value at 100 ppm after 5 days ChEMBL. 18299194

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.

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