Detailed information for compound 795692

Basic information

Technical information
  • TDR Targets ID: 795692
  • Name: 2-[3-cyano-4-methyl-6-(trifluoromethyl)pyridi n-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
  • MW: 381.372 | Formula: C17H14F3N3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(SCC(=O)Nc2ccccc2OC)nc(cc1C)C(F)(F)F
  • InChi: 1S/C17H14F3N3O2S/c1-10-7-14(17(18,19)20)23-16(11(10)8-21)26-9-15(24)22-12-5-3-4-6-13(12)25-2/h3-7H,9H2,1-2H3,(H,22,24)
  • InChiKey: TVTRFAOTWUAUAH-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-methoxyphenyl)acetamide
  • 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]thio]-N-(2-methoxyphenyl)acetamide
  • 2-[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide
  • ChemDiv1_017871

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
Brugia malayi hypothetical protein 0.0039 0.1028 0.0912
Loa Loa (eye worm) hypothetical protein 0.0039 0.1028 0.0591
Plasmodium vivax multidomain scavenger receptor, putative 0.0039 0.1028 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3043 0.5179
Brugia malayi Doublecortin family protein 0.0039 0.1028 0.0912
Trichomonas vaginalis glutaminase, putative 0.0272 0.951 0.9283
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.1028 0.1749
Schistosoma mansoni polycystin 1-related 0.0039 0.1028 0.108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.0098 0.3177 0.5406
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0172 0.5876 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.0102 0.3323 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.1028 0.1749
Brugia malayi hypothetical protein 0.0025 0.0495 0.0341
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.3043 0.3071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.5977 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0098 0.3177 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3043 0.5179
Echinococcus granulosus RUN 0.0039 0.1028 0.1749
Schistosoma mansoni lipoxygenase 0.0172 0.5876 0.6179
Mycobacterium ulcerans glutaminase 0.0272 0.951 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3043 0.32
Loa Loa (eye worm) hypothetical protein 0.0039 0.1028 0.0591
Loa Loa (eye worm) glutaminase 0.0272 0.951 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.5586 0.5874
Echinococcus granulosus geminin 0.0164 0.5586 0.9506
Brugia malayi hypothetical protein 0.0039 0.1028 0.0912
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3043 0.5179
Schistosoma mansoni rab6-interacting 0.0039 0.1028 0.108
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.1028 0.1749
Schistosoma mansoni rab6-interacting 0.0039 0.1028 0.108
Loa Loa (eye worm) glutaminase 2 0.0272 0.951 1
Plasmodium falciparum LCCL domain-containing protein 0.0039 0.1028 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3043 0.5179
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.4679 0.5
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0098 0.3177 0.2975
Schistosoma mansoni UDP-glucose 4-epimerase 0.0098 0.3177 0.334
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0172 0.5876 1
Schistosoma mansoni loxhd1 0.0039 0.1028 0.108
Toxoplasma gondii UDP-glucose 4-epimerase 0.0098 0.3177 1
Echinococcus granulosus UDP glucose 4 epimerase 0.0098 0.3177 0.5406
Schistosoma mansoni glutaminase 0.0272 0.951 1
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0098 0.3177 1
Echinococcus multilocularis RUN 0.0039 0.1028 0.1749
Echinococcus granulosus Polycystic kidney disease protein 0.0039 0.1028 0.1749
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.3043 0.2827
Schistosoma mansoni lipoxygenase 0.0102 0.3302 0.3472
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.4679 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0285 1 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 1 1
Brugia malayi N-terminal motif family protein 0.0175 0.5977 0.6215
Echinococcus multilocularis Polycystic kidney disease protein 0.0039 0.1028 0.1749
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 1 1
Brugia malayi UDP galactose 4'-epimerase 0.0098 0.3177 0.3214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3043 0.32
Schistosoma mansoni hypothetical protein 0.0039 0.1028 0.108
Loa Loa (eye worm) doublecortin family protein 0.0039 0.1028 0.0591
Loa Loa (eye worm) hypothetical protein 0.0175 0.5977 0.6081
Echinococcus multilocularis geminin 0.0164 0.5586 0.9506
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.1028 0.1749
Brugia malayi glutaminase DH11.1 0.0272 0.951 1
Schistosoma mansoni hypothetical protein 0.0164 0.5586 0.5874
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3043 0.32
Leishmania major udp-glc 4-epimerase, putative 0.0102 0.3323 1

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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