Detailed information for compound 719874

Basic information

Technical information
  • TDR Targets ID: 719874
  • Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamothio ylamino]phenyl]acetamide
  • MW: 373.469 | Formula: C19H23N3O3S
  • H donors: 3 H acceptors: 1 LogP: 2.6 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)CCNC(=S)Nc1cccc(c1)NC(=O)C
  • InChi: 1S/C19H23N3O3S/c1-13(23)21-15-5-4-6-16(12-15)22-19(26)20-10-9-14-7-8-17(24-2)18(11-14)25-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23)(H2,20,22,26)
  • InChiKey: QRXINEFNRIAIHJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-thioxomethyl]amino]phenyl]acetamide
  • N-[3-[2-(3,4-dimethoxyphenyl)ethylthiocarbamoylamino]phenyl]acetamide
  • N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]ethanamide
  • IVK/1636389
  • ZINC01120536

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 AGC family protein kinase 0.0077 0 0.5
Echinococcus granulosus Protein kinase C brain isozyme 0.0279 0.6653 0.8694
Echinococcus granulosus serine:threonine protein kinase N2 0.0156 0.2618 0.1428
Trichomonas vaginalis AGC family protein kinase 0.0077 0 0.5
Loa Loa (eye worm) hypothetical protein 0.02 0.4047 0.4047
Echinococcus multilocularis protein kinase c epsilon type 0.0301 0.7378 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.1825 0.1825
Loa Loa (eye worm) hypothetical protein 0.0136 0.1952 0.1952
Schistosoma mansoni serine/threonine protein kinase 0.0301 0.7378 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.9848 0.9848
Schistosoma mansoni protein kinase C mu 0.0205 0.4242 0.409
Trichomonas vaginalis AGC family protein kinase 0.0077 0 0.5
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0141 0.2123 0.2123
Schistosoma mansoni serine/threonine protein kinase 0.0279 0.6653 0.8634
Brugia malayi Protein kinase c protein 2 0.0209 0.4346 0.589
Brugia malayi protein kinase C II. 0.0301 0.7378 1
Echinococcus multilocularis protein kinase c iota type 0.014 0.2072 0.0445
Loa Loa (eye worm) hypothetical protein 0.0208 0.4325 0.4325
Echinococcus granulosus protein kinase C gamma type 0.0211 0.443 0.4692
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0205 0.4242 0.575
Trichomonas vaginalis AGC family protein kinase 0.0077 0 0.5
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0138 0.2019 0.2019
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0205 0.4242 0.4242
Trichomonas vaginalis AGC family protein kinase 0.0077 0 0.5
Onchocerca volvulus 0.0203 0.4174 0.3918
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0301 0.7378 0.7378
Loa Loa (eye worm) hypothetical protein 0.0308 0.7625 0.7625
Trichomonas vaginalis AGC family protein kinase 0.0077 0 0.5
Echinococcus multilocularis serine:threonine protein kinase N2 0.0226 0.4925 0.5582
Loa Loa (eye worm) hypothetical protein 0.0308 0.7625 0.7625
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0279 0.6653 0.8694
Onchocerca volvulus 0.0208 0.4325 0.4184
Schistosoma mansoni serine/threonine protein kinase 0.0279 0.6653 0.8634
Loa Loa (eye worm) hypothetical protein 0.0203 0.4174 0.4174
Entamoeba histolytica PH domain containing protein kinase, putative 0.0161 0.2768 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.7625 0.7625
Brugia malayi C1-like domain containing protein 0.0205 0.4242 0.575
Echinococcus granulosus protein kinase c iota type 0.014 0.2072 0.0445
Trichomonas vaginalis AGC family protein kinase 0.0077 0 0.5
Onchocerca volvulus 0.0308 0.7625 1
Trichomonas vaginalis AGC family protein kinase 0.0077 0 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0301 0.7378 1
Echinococcus multilocularis serine threonine protein kinase 0.0211 0.443 0.4692
Loa Loa (eye worm) hypothetical protein 0.0136 0.1952 0.1952
Trypanosoma brucei rac serine-threonine kinase, putative 0.0077 0 0.5

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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