Detailed information for compound 907515

Basic information

Technical information
  • TDR Targets ID: 907515
  • Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2 ,4-triazol-3-yl]methyl]-4-methylbenzamide
  • MW: 358.845 | Formula: C17H15ClN4OS
  • H donors: 1 H acceptors: 3 LogP: 3.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)NCc1nnc(n1c1cccc(c1)Cl)S
  • InChi: 1S/C17H15ClN4OS/c1-11-5-7-12(8-6-11)16(23)19-10-15-20-21-17(24)22(15)14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,21,24)
  • InChiKey: FEBBKUBNGLFVAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide
  • N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
  • N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide
  • Oprea1_778635
  • EU-0004069

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 glucosylceramidase, putative 0.0164 0.2209 0.6291
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0225 0.0225
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0005 0.0005
Entamoeba histolytica hypothetical protein 0.0035 0.0295 0.3461
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.234 0.6672
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Brugia malayi hypothetical protein 0.0035 0.0295 0.029
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0605 0.06
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0249 0.3483 0.348
Brugia malayi Glycosyl hydrolases family 31 protein 0.0066 0.076 0.0756
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.234 0.6672
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0066 0.076 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0006 0.0006
Echinococcus granulosus vesicular acetylcholine transporter 0.0214 0.295 0.295
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0049 0.0044
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Trypanosoma brucei lanosterol synthase 0.0195 0.2679 1
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.076 0.2823
Schistosoma mansoni ceramide glucosyltransferase 0.0238 0.3307 0.3307
Schistosoma mansoni ceramide glucosyltransferase 0.0238 0.3307 0.3307
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0225 0.0225
Schistosoma mansoni alpha-l-fucosidase 0.0256 0.3576 0.3576
Loa Loa (eye worm) hypothetical protein 0.0093 0.1165 0.116
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Schistosoma mansoni hypothetical protein 0.0015 0.0005 0.0005
Trypanosoma brucei Sterol methyltransferase, putative 0.0192 0.2623 0.9791
Schistosoma mansoni ap endonuclease 0.0018 0.0049 0.0049
Brugia malayi hypothetical protein 0.0016 0.0012 0.0007
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3483 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0066 0.076 0.2072
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0141 0.3366
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0225 0.0225
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2209 0.6291
Echinococcus multilocularis lysosomal alpha glucosidase 0.0688 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0066 0.076 1
Schistosoma mansoni hypothetical protein 0.0015 0.0005 0.0005
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Echinococcus multilocularis lysosomal alpha glucosidase 0.0688 1 1
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0066 0.076 0.0833
Leishmania major lanosterol synthase, putative 0.0195 0.2679 1
Schistosoma mansoni cpg binding protein 0.0059 0.0652 0.0652
Echinococcus granulosus lysosomal alpha glucosidase 0.0688 1 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0192 0.2623 0.9791
Echinococcus multilocularis GPCR, family 2 0.0015 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0024 0.0141 0.0135
Onchocerca volvulus 0.0056 0.0605 0.0592
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.076 0.2823
Schistosoma mansoni hypothetical protein 0.0035 0.0295 0.0295
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.2209 0.309
Entamoeba histolytica hypothetical protein 0.0035 0.0295 0.3461
Schistosoma mansoni hypothetical protein 0.0033 0.0268 0.0268
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0141 0.3366
Schistosoma mansoni cpg binding protein 0.0056 0.0605 0.0605
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2209 0.6291
Schistosoma mansoni cpg binding protein 0.0059 0.0652 0.0652
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3483 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0005 0.0005
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3483 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0119 0.1547 0.1547
Leishmania major hypothetical protein, conserved 0.0024 0.0141 0.0505
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0048 0.0494 0.0489
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0192 0.2623 0.9791
Entamoeba histolytica hypothetical protein 0.0035 0.0295 0.3461
Brugia malayi Glycosyl hydrolases family 31 protein 0.0066 0.076 0.0756
Brugia malayi hypothetical protein 0.0024 0.0141 0.0135
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0141 0.0505
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0112 0.1445 0.4064
Schistosoma mansoni alpha glucosidase 0.0066 0.076 0.076
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0066 0.076 0.5572
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0042 0.0406 1
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0423 0.6058 0.6058
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0049 0.0161
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0494 0.0489
Trypanosoma brucei glycosyl hydrolase-like protein 0.0066 0.076 0.2823
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0049 0.0161
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0295 0.0295
Trypanosoma cruzi lanosterol synthase, putative 0.0195 0.2679 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.1833 0.1828
Brugia malayi Cytochrome P450 family protein 0.0025 0.0154 0.0149
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2209 0.6291
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0049 0.0044
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.005 0.005
Echinococcus granulosus dnaJ subfamily B 0.0395 0.5646 0.5646
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0066 0.076 0.0756
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2209 0.6291
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0049 0.0161
Echinococcus granulosus cpg binding protein 0.0059 0.0652 0.0652
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0141 0.0505
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0066 0.076 0.2072
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3483 1
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0423 0.6058 0.6058
Echinococcus multilocularis dnaJ subfamily B 0.0395 0.5646 0.5646
Brugia malayi vesicular acetylcholine transporter unc-17 0.0214 0.295 0.2946
Schistosoma mansoni ap endonuclease 0.0018 0.0049 0.0049
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0066 0.076 0.2823
Loa Loa (eye worm) alpha-L-fucosidase 0.0256 0.3576 0.3572
Leishmania major alpha glucosidase II subunit, putative 0.0066 0.076 0.2823
Giardia lamblia Ceramide glucosyltransferase 0.0108 0.1378 1
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0093 0.1165 0.116
Loa Loa (eye worm) histone methyltransferase 0.0018 0.005 0.0045
Echinococcus granulosus beta galactosidase 0.0138 0.1833 0.1833
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2209 0.6291
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0066 0.076 0.2072
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0214 0.295 0.4243
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0006
Echinococcus multilocularis vesicular acetylcholine transporter 0.0214 0.295 0.295
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0494 0.0489
Trichomonas vaginalis maltase-glucoamylase, putative 0.0066 0.076 0.2072
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0238 0.3307 0.4799
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.01 0.1262 0.4701
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0192 0.2623 0.9791
Leishmania major glycosyl hydrolase-like protein 0.0066 0.076 0.2823
Loa Loa (eye worm) hypothetical protein 0.0066 0.076 0.0756
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0225 0.1621
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0049 0.0161
Schistosoma mansoni hypothetical protein 0.0395 0.5646 0.5646
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0005 0.0005
Trypanosoma cruzi lanosterol synthase, putative 0.0195 0.2679 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0141 0.0505
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.013 0.1707 1
Schistosoma mansoni hypothetical protein 0.0015 0.0005 0.0005
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0138 0.1833 0.1828
Schistosoma mansoni alpha-glucosidase 0.0688 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0494 0.0489
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0047 0.0042
Toxoplasma gondii histone lysine methyltransferase SET1 0.0107 0.136 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0066 0.076 0.2823
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Trichomonas vaginalis set domain proteins, putative 0.023 0.3195 0.916
Onchocerca volvulus 0.0463 0.6647 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0141 0.3366
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0049 0.0049
Leishmania major sterol 24-c-methyltransferase, putative 0.0192 0.2623 0.9791
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0049 0.0254
Entamoeba histolytica hypothetical protein 0.0035 0.0295 0.3461
Echinococcus multilocularis cpg binding protein 0.0059 0.0652 0.0652
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0049 0.1076
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3483 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0066 0.076 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0049 0.0049
Plasmodium vivax SET domain protein, putative 0.003 0.0225 0.5478
Echinococcus multilocularis neutral alpha glucosidase AB 0.0066 0.076 0.076
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0112 0.1445 0.4064
Brugia malayi Ceramide glucosyltransferase 0.0238 0.3307 0.3304
Trichomonas vaginalis sucrase-isomaltase, putative 0.0066 0.076 0.2072
Echinococcus multilocularis beta galactosidase 0.0138 0.1833 0.1833
Schistosoma mansoni hypothetical protein 0.0015 0.0005 0.0005
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0006
Brugia malayi Alpha-L-fucosidase family protein 0.0256 0.3576 0.3572
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0006
Leishmania major sterol 24-c-methyltransferase, putative 0.0192 0.2623 0.9791
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0295 0.0295
Brugia malayi Pre-SET motif family protein 0.0202 0.2782 0.2778
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0191 0.0191
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0406 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0295 0.0295
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2209 0.6291
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0005 0.0005
Echinococcus granulosus ceramide glucosyltransferase 0.0238 0.3307 0.3307
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0006 0.0006
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0249 0.3483 0.348
Echinococcus granulosus neutral alpha glucosidase AB 0.0066 0.076 0.076
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0049 0.5
Schistosoma mansoni beta-galactosidase 0.0138 0.1833 0.1833
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0066 0.076 0.2072
Loa Loa (eye worm) ceramide glucosyltransferase 0.0238 0.3307 0.3304
Brugia malayi Pre-SET motif family protein 0.003 0.0225 0.022
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0006 0.0006
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0225 0.0225
Schistosoma mansoni alpha-glucosidase 0.0688 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0049 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0225 0.022
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0192 0.2623 0.9791
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3483 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0423 0.6058 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0049 0.1076
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0141 0.0996
Echinococcus granulosus GPCR family 2 0.0015 0.0005 0.0005
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0192 0.2623 0.9791
Trypanosoma brucei glucosidase, putative 0.0066 0.076 0.2823
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0225 0.0225
Brugia malayi CXXC zinc finger family protein 0.0056 0.0605 0.06
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2782 0.2778
Toxoplasma gondii exonuclease III APE 0.0018 0.0049 0.0318
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0688 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0225 0.0225
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0214 0.295 0.2946
Trichomonas vaginalis maltase-glucoamylase, putative 0.0066 0.076 0.2072
Loa Loa (eye worm) hypothetical protein 0.0033 0.0268 0.0263
Echinococcus multilocularis ceramide glucosyltransferase 0.0238 0.3307 0.3307
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Onchocerca volvulus 0.023 0.3195 0.4624
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0268 0.0263
Trichomonas vaginalis alpha-glucosidase, putative 0.0066 0.076 0.2072
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0154 0.0149
Schistosoma mansoni vesicular acetylcholine transporter 0.0214 0.295 0.295

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.