Detailed information for compound 619977

Basic information

Technical information
  • TDR Targets ID: 619977
  • Name: 2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]met hylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
  • MW: 409.448 | Formula: C18H14F3N3OS2
  • H donors: 1 H acceptors: 3 LogP: 5.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1C)Nc1nnc(s1)SCc1cccc(c1)C(F)(F)F
  • InChi: 1S/C18H14F3N3OS2/c1-11-5-2-3-8-14(11)15(25)22-16-23-24-17(27-16)26-10-12-6-4-7-13(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,23,25)
  • InChiKey: BPIMSUABCLCCSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3,4-thiadiazol-2-yl]benzamide
  • 2-methyl-N-[5-[[3-(trifluoromethyl)benzyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
  • ZINC04078250

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
Onchocerca volvulus 0.0104 0.127 0.3418
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.9885 0.9884
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0217 0.0198
Brugia malayi Smad1 0.0017 0.0022 0.0059
Echinococcus multilocularis tumor protein p63 0.0709 1 1
Brugia malayi MH2 domain containing protein 0.0017 0.0022 0.0059
Loa Loa (eye worm) glutaminase 0.027 0.3671 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0125 0.0282
Schistosoma mansoni lamin 0.0236 0.3176 0.3199
Echinococcus multilocularis tar DNA binding protein 0.0131 0.1665 0.1647
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.1665 0.4536
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.1119 0.2928
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0217 0.0196
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1119 0.11
Brugia malayi TAR-binding protein 0.0131 0.1665 0.4536
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0217 0.0198
Brugia malayi RNA binding protein 0.0131 0.1665 0.4536
Brugia malayi hypothetical protein 0.0024 0.0125 0.034
Brugia malayi glutaminase DH11.1 0.027 0.3671 1
Trichomonas vaginalis set domain proteins, putative 0.0244 0.3297 0.8843
Schistosoma mansoni intermediate filament proteins 0.0236 0.3176 0.3199
Onchocerca volvulus 0.0236 0.3176 0.9608
Brugia malayi Pre-SET motif family protein 0.0215 0.2869 0.7816
Echinococcus granulosus lamin dm0 0.0236 0.3176 0.3162
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1665 0.1666
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.3423 0.9321
Brugia malayi Pre-SET motif family protein 0.0031 0.0217 0.0591
Loa Loa (eye worm) hypothetical protein 0.011 0.1353 0.3648
Plasmodium vivax SET domain protein, putative 0.0031 0.0217 1
Loa Loa (eye worm) intermediate filament protein 0.0236 0.3176 0.8644
Schistosoma mansoni cellular tumor antigen P53 0.0104 0.127 0.1266
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1119 1
Brugia malayi MH1 domain containing protein 0.0017 0.0022 0.0059
Echinococcus multilocularis lamin dm0 0.0236 0.3176 0.3162
Onchocerca volvulus 0.0236 0.3176 0.9608
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0217 0.0198
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0201 0.0179
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1665 0.1666
Schistosoma mansoni glutaminase 0.027 0.3671 0.37
Echinococcus granulosus intermediate filament protein 0.0236 0.3176 0.3162
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0114 0.1415 0.1397
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0125 0.5
Echinococcus multilocularis lamin 0.0236 0.3176 0.3162
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.9885 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1119 0.2103
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1119 0.2103
Echinococcus multilocularis musashi 0.0236 0.3176 0.3162
Echinococcus granulosus lamin 0.0236 0.3176 0.3162
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0217 0.0196
Loa Loa (eye worm) hypothetical protein 0.0232 0.3114 0.8473
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1119 0.2103
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1119 0.2103
Loa Loa (eye worm) TAR-binding protein 0.0131 0.1665 0.4504
Schistosoma mansoni kinase 0.0047 0.0457 0.0441
Mycobacterium ulcerans glutaminase 0.027 0.3671 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1119 0.2103
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1119 0.2103
Echinococcus granulosus microtubule associated protein 2 0.0701 0.9885 0.9884
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0236 0.3176 0.8644
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.1119 0.3048
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.1119 0.3006
Schistosoma mansoni lamin 0.0236 0.3176 0.3199
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1665 0.1666
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.1119 0.5
Trypanosoma brucei polo-like protein kinase 0.0093 0.1119 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0126 0.1596 0.4314
Trichomonas vaginalis glutaminase, putative 0.027 0.3671 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.127 0.342
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1119 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1665 0.1666
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1119 0.2103
Giardia lamblia Kinase, PLK 0.0093 0.1119 0.5
Brugia malayi MH2 domain containing protein 0.0253 0.3423 0.9325
Brugia malayi MH2 domain containing protein 0.0017 0.0022 0.0059
Echinococcus granulosus tar DNA binding protein 0.0131 0.1665 0.1647
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.2869 0.7803
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1119 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1353 0.3648
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1665 0.1666
Loa Loa (eye worm) hypothetical protein 0.0031 0.0217 0.0535
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0114 0.1415 0.1397
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.3423 0.9321
Loa Loa (eye worm) hypothetical protein 0.0236 0.3176 0.8644
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0217 1
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1119 0.1112
Brugia malayi intermediate filament protein 0.0236 0.3176 0.8652
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0125 0.5
Loa Loa (eye worm) glutaminase 2 0.027 0.3671 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.1665 0.4504
Brugia malayi cytoplasmic intermediate filament protein 0.0126 0.1596 0.4348
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0217 0.0198
Onchocerca volvulus 0.0244 0.3297 1
Brugia malayi MH1 domain containing protein 0.0017 0.0022 0.0059
Brugia malayi Intermediate filament tail domain containing protein 0.0236 0.3176 0.8652
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0217 0.0196
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1119 0.11
Loa Loa (eye worm) RNA binding protein 0.0131 0.1665 0.4504
Loa Loa (eye worm) hypothetical protein 0.0114 0.1415 0.3819

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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