Detailed information for compound 814725

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 496.555 | Formula: C19H17FN4O5S3
  • H donors: 1 H acceptors: 6 LogP: 2.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c2CCN(Cc2sc1S(=O)(=O)NCc1cccc(c1)F)C(=O)c1csnn1
  • InChi: 1S/C19H17FN4O5S3/c1-29-18(26)16-13-5-6-24(17(25)14-10-30-23-22-14)9-15(13)31-19(16)32(27,28)21-8-11-3-2-4-12(20)7-11/h2-4,7,10,21H,5-6,8-9H2,1H3
  • InChiKey: GYAKWMPWTGQBNB-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
Echinococcus multilocularis Glutaredoxin protein 5 0.0021 0.0926 0.0974
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.001 0.0239 0.0239
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.5536 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.001 0.0239 0.0251
Schistosoma mansoni atypical protein kinase C 0.0012 0.0399 0.0399
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0012 0.0399 0.042
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.1142 0.2013
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Echinococcus granulosus neuroglian 0.0012 0.0385 0.0405
Echinococcus granulosus serine threonine protein kinase nrc 0.0023 0.1016 0.1068
Echinococcus granulosus defective proboscis extension response 0.001 0.0239 0.0251
Trypanosoma brucei myosin heavy chain kinase A, putative 0.0128 0.7298 1
Echinococcus multilocularis eukaryotic elongation factor 2 kinase 0.0128 0.7298 0.7672
Loa Loa (eye worm) hypothetical protein 0.001 0.0239 0.0239
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0399 0.0664
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.5536 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0165 0.9512 0.9512
Loa Loa (eye worm) hypothetical protein 0.0015 0.0571 0.0571
Entamoeba histolytica protein kinase, putative 0.0035 0.1783 0.3179
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0165 0.9512 0.9512
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.2609 0.4679
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.5536 0.5821
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0023 0.1016 0.1068
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0165 0.9512 0.9512
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.5536 1
Echinococcus granulosus eukaryotic elongation factor 2 kinase 0.0128 0.7298 0.7672
Entamoeba histolytica protein kinase 2, putative 0.0023 0.1016 0.1784
Schistosoma mansoni kinase 0.005 0.2685 0.2685
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Schistosoma mansoni vesicular amine transporter 0.001 0.0239 0.0239
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.5536 1
Echinococcus multilocularis Immunoglobulin 0.001 0.0239 0.0251
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0023 0.1016 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0399 0.0399
Brugia malayi Protein kinase domain containing protein 0.0012 0.0399 0.0399
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0165 0.9512 1
Schistosoma mansoni serine/threonine protein kinase 0.0173 1 1
Schistosoma mansoni elongation factor 2 kinase 0.0037 0.1894 0.1894
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0165 0.9512 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.001 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.001 0.0239 0.0239
Brugia malayi MHCK/EF2 kinase domain family protein 0.0128 0.7298 0.7298
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0012 0.0399 0.042
Echinococcus multilocularis protein kinase c epsilon type 0.0012 0.0399 0.042
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0165 0.9512 1
Echinococcus granulosus roundabout 2 0.0015 0.0571 0.06
Schistosoma mansoni serine/threonine kinase 0.0012 0.0399 0.0399
Toxoplasma gondii AGC kinase 0.0033 0.1657 0.5
Trichomonas vaginalis AGC family protein kinase 0.0035 0.1783 0.3179
Echinococcus multilocularis serine:threonine protein kinase N2 0.0012 0.0399 0.042
Echinococcus granulosus Immunoglobulin 0.001 0.0239 0.0251
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.5536 1
Echinococcus multilocularis roundabout 2 0.0015 0.0571 0.06
Echinococcus multilocularis neuroglian 0.0012 0.0385 0.0405
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0012 0.0399 0.0399
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.5536 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.1142 0.2013
Loa Loa (eye worm) AGC/PKN protein kinase 0.0012 0.0399 0.0399
Echinococcus granulosus nervana 2 0.0021 0.0926 0.0974
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0033 0.1657 0.1657
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.5536 0.5821
Trichomonas vaginalis AGC family protein kinase 0.0035 0.1783 0.3179
Entamoeba histolytica protein kinase, putative 0.0037 0.1894 0.3379
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.0128 0.7298 1
Echinococcus multilocularis Immunoglobulin 0.001 0.0239 0.0251
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.2609 0.4679
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0399 0.0399
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.0128 0.7298 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0035 0.1783 0.1783
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.5536 0.7196
Trichomonas vaginalis AGC family protein kinase 0.0035 0.1783 0.3179
Trypanosoma brucei myosin heavy chain kinase A, putative 0.0128 0.7298 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0012 0.0399 0.042
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.5536 0.7196
Leishmania major myosin heavy chain kinase a-like protein 0.0128 0.7298 1
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Loa Loa (eye worm) hypothetical protein 0.001 0.0239 0.0239
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0173 1 1
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0011 0.031 0.0501
Echinococcus granulosus Protein kinase C brain isozyme 0.0012 0.0399 0.042
Echinococcus multilocularis serine threonine protein kinase 0.0012 0.0399 0.042
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0012 0.0399 0.042
Brugia malayi Protein kinase domain containing protein 0.0165 0.9512 0.9512
Brugia malayi Protein kinase domain containing protein 0.0035 0.1783 0.1783
Schistosoma mansoni elongation factor 2 kinase 0.0037 0.1894 0.1894
Entamoeba histolytica hypothetical protein, conserved 0.0037 0.1894 0.3379
Brugia malayi Hr1 repeat family protein 0.0012 0.0399 0.0399
Entamoeba histolytica protein kinase, putative 0.0035 0.1783 0.3179
Entamoeba histolytica hypothetical protein, conserved 0.0037 0.1894 0.3379
Echinococcus granulosus serine:threonine protein kinase N2 0.0012 0.0399 0.042
Schistosoma mansoni eukaryotic elongation factor 2 kinase (eef-2 kinase) 0.0128 0.7298 0.7298
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0021 0.0926 0.0974
Loa Loa (eye worm) hypothetical protein 0.0015 0.0571 0.0571
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.9512 0.9512
Trichomonas vaginalis AGC family protein kinase 0.0035 0.1783 0.3179
Entamoeba histolytica hypothetical protein, conserved 0.0037 0.1894 0.3379
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.5536 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0012 0.0399 0.0399
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.1142 0.1142
Echinococcus granulosus protein kinase c epsilon type 0.0012 0.0399 0.042
Schistosoma mansoni cell adhesion molecule 0.0013 0.0425 0.0425
Echinococcus granulosus protein kinase c iota type 0.0012 0.0399 0.042
Trichomonas vaginalis AGC family protein kinase 0.0035 0.1783 0.3179
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.5536 0.6741
Echinococcus multilocularis rac serine:threonine kinase 0.0025 0.1142 0.12
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0525 0.0893
Schistosoma mansoni Neurotrimin precursor (hNT) 0.001 0.0239 0.0239
Echinococcus multilocularis nervana 2 0.0021 0.0926 0.0974
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0399 0.0399
Schistosoma mansoni tyrosine kinase 0.0006 0.0052 0.0052
Brugia malayi hypothetical protein 0.001 0.0239 0.0239
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.5536 0.5821
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0023 0.1016 0.5
Brugia malayi p70 ribosomal S6 kinase beta 0.0033 0.1657 0.1657
Echinococcus granulosus protein kinase C gamma type 0.0012 0.0399 0.042
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0013 0.0425 0.0447
Trichomonas vaginalis AGC family protein kinase 0.0035 0.1783 0.3179
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0399 0.0399
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0399 0.0399
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0007 0.009 0.009
Trichomonas vaginalis AGC family protein kinase 0.0035 0.1783 0.3179
Entamoeba histolytica elongation factor-2 kinase, putative 0.0037 0.1894 0.3379
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0399 0.0664
Echinococcus granulosus twitchin 0.0013 0.0475 0.0499
Loa Loa (eye worm) hypothetical protein 0.001 0.0239 0.0239
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.5536 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0012 0.0399 0.0399
Entamoeba histolytica protein kinase, putative 0.0037 0.1894 0.3379
Loa Loa (eye worm) hypothetical protein 0.0128 0.7298 0.7298
Entamoeba histolytica protein kinase, putative 0.0012 0.0399 0.0664
Echinococcus granulosus Glutaredoxin protein 5 0.0021 0.0926 0.0974
Onchocerca volvulus 0.0142 0.8139 0.8557
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.5536 0.5536
Echinococcus multilocularis serine:threonine protein kinase 38 0.0012 0.0399 0.042
Echinococcus granulosus nervana 2 0.0021 0.0926 0.0974
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.5536 0.5536
Schistosoma mansoni nephrin 0.0012 0.0385 0.0385
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Echinococcus granulosus serine/threonine protein kinase 0.0025 0.1142 0.12
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0023 0.1016 0.1068
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0155 0.8948 0.8948
Echinococcus multilocularis nervana 2 0.0021 0.0926 0.0974
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0012 0.0399 0.042
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0012 0.0399 0.042
Echinococcus granulosus NDR protein kinase 0.0012 0.0399 0.042
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Entamoeba histolytica protein kinase, putative 0.0033 0.1657 0.295
Brugia malayi Protein kinase domain containing protein 0.0012 0.0399 0.0399
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.8948 0.8948
Loa Loa (eye worm) hypothetical protein 0.0013 0.0425 0.0425
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0399 0.0399
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0012 0.0399 0.0399
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0399 0.0399
Entamoeba histolytica hypothetical protein 0.0037 0.1894 0.3379
Trypanosoma cruzi Protein kinase B 0.0025 0.1142 0.02
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0012 0.0399 0.042
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.1142 0.1142
Giardia lamblia Kinase, PLK 0.0098 0.5536 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0239 0.0239
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0012 0.0399 0.0399
Brugia malayi protein kinase C II. 0.0012 0.0399 0.0399
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.5536 0.5536
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0399 0.0664
Echinococcus multilocularis protein kinase c iota type 0.0012 0.0399 0.042
Loa Loa (eye worm) hypothetical protein 0.0012 0.0399 0.0399
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0025 0.1142 0.02
Brugia malayi Fibronectin type III domain containing protein 0.001 0.0239 0.0239
Trypanosoma brucei polo-like protein kinase 0.0098 0.5536 0.6806
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0021 0.0926 0.0974
Echinococcus multilocularis serine:threonine protein kinase N2 0.0012 0.0399 0.042
Onchocerca volvulus Tyrosine kinase homolog 0.0145 0.8337 0.8765

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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