Detailed information for compound 1607438

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.36 | Formula: C16H14N2O2S
  • H donors: 2 H acceptors: 3 LogP: 2.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)c1ccccc1C[S+](CC(=O)N)[O-]
  • InChi: 1S/C16H14N2O2S/c17-9-12-4-3-6-13(8-12)15-7-2-1-5-14(15)10-21(20)11-16(18)19/h1-8H,10-11H2,(H2,18,19)
  • InChiKey: WMWQIFOKHQBCTA-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) immunoglobulin I-set domain-containing protein 0.0064 0.0261 0.0584
Schistosoma mansoni nephrin 0.0038 0.0092 0.0329
Brugia malayi hypothetical protein 0.0029 0.0037 0.0057
Brugia malayi bone morphogenetic protein type 1 receptor 0.0403 0.2437 0.5472
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0261 0.0562
Entamoeba histolytica protein kinase domain containing protein 0.0023 0 0.5
Echinococcus granulosus TGF beta receptor type 1 0.0386 0.233 0.524
Echinococcus multilocularis tyrosine protein kinase 0.0716 0.4445 0.4444
Echinococcus granulosus activin receptor type 0.0403 0.2437 0.5482
Echinococcus granulosus tyrosine protein kinase 0.0716 0.4445 1
Echinococcus multilocularis activin receptor type 0.0403 0.2437 0.2436
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0032 0.0055 0.0119
Brugia malayi plexin A 0.0043 0.0125 0.0256
Brugia malayi Protein kinase domain containing protein 0.0716 0.4445 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0037 0.008
Echinococcus multilocularis roundabout 2 0.0038 0.0092 0.009
Brugia malayi Fibronectin type III domain containing protein 0.0029 0.0037 0.0057
Onchocerca volvulus 0.0055 0.0203 0.9847
Brugia malayi EGF-like domain containing protein 0.0056 0.0206 0.0438
Schistosoma mansoni cell adhesion molecule 0.0029 0.0037 0.0103
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0031 0.0048 0.0103
Loa Loa (eye worm) TK protein kinase 0.0716 0.4445 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0183
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0025 0.0012 0.001
Echinococcus granulosus TGF-beta receptor type-1 0.0386 0.233 0.524
Echinococcus granulosus plexin a4 0.0043 0.0125 0.0279
Schistosoma mansoni ephrin receptor 0.0031 0.0048 0.0146
Onchocerca volvulus Slit protein homolog 0.0056 0.0206 1
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0025 0.0012 0.0023
Brugia malayi Immunoglobulin I-set domain containing protein 0.0029 0.0037 0.0057
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0031 0.0048 0.0046
Loa Loa (eye worm) hypothetical protein 0.0699 0.4337 0.9757
Loa Loa (eye worm) hypothetical protein 0.0056 0.0206 0.0461
Loa Loa (eye worm) hypothetical protein 0.0029 0.0037 0.008
Echinococcus granulosus roundabout 2 0.0038 0.0092 0.0203
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0403 0.2437 0.5482
Onchocerca volvulus 0.0036 0.0083 0.3641
Loa Loa (eye worm) TK protein kinase 0.0025 0.0012 0.0023
Echinococcus multilocularis slit 2 protein 0.0056 0.0206 0.0205
Loa Loa (eye worm) hypothetical protein 0.0029 0.0037 0.008
Loa Loa (eye worm) TK/ROR protein kinase 0.0025 0.0012 0.0023
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0055 0.0096
Schistosoma mansoni plexin 0.0036 0.0083 0.0291
Echinococcus multilocularis TGF beta receptor type 1 0.0386 0.233 0.2328
Echinococcus multilocularis plexin a4 0.0043 0.0125 0.0124
Schistosoma mansoni protein kinase 0.0386 0.233 0.9556
Entamoeba histolytica tyrosin kinase, putative 0.0023 0 0.5
Brugia malayi Plexin repeat family protein 0.0036 0.0083 0.0159
Echinococcus granulosus slit 2 protein 0.0056 0.0206 0.0461
Schistosoma mansoni protein kinase 0.0403 0.2437 1
Loa Loa (eye worm) plexin A 0.0043 0.0125 0.0279

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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