Detailed information for compound 847198

Basic information

Technical information
  • TDR Targets ID: 847198
  • Name: N-(5-chloro-2-methylphenyl)-5-methyl-1-(3-met hylsulfanylphenyl)triazole-4-carboxamide
  • MW: 372.872 | Formula: C18H17ClN4OS
  • H donors: 1 H acceptors: 3 LogP: 4.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1cccc(c1)n1nnc(c1C)C(=O)Nc1cc(Cl)ccc1C
  • InChi: 1S/C18H17ClN4OS/c1-11-7-8-13(19)9-16(11)20-18(24)17-12(2)23(22-21-17)14-5-4-6-15(10-14)25-3/h4-10H,1-3H3,(H,20,24)
  • InChiKey: OYKHZWWLAVWPHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-chloro-2-methyl-phenyl)-5-methyl-1-(3-methylsulfanylphenyl)triazole-4-carboxamide
  • N-(5-chloro-2-methylphenyl)-5-methyl-1-[3-(methylthio)phenyl]-4-triazolecarboxamide
  • N-(5-chloro-2-methyl-phenyl)-5-methyl-1-[3-(methylthio)phenyl]triazole-4-carboxamide
  • N-(5-chloro-2-methyl-phenyl)-5-methyl-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide
  • ZINC04316183

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 Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0751 0.0378
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0036 0.0387 0.0231
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Loa Loa (eye worm) glutaminase 0.0281 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0036 0.0387 0.0231
Brugia malayi cathepsin L-like precursor 0.0045 0.0751 0.0751
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0993 0.0993
Onchocerca volvulus 0.0065 0.153 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0064 0.1488 0.2813
Giardia lamblia Cathepsin B precursor 0.0064 0.1488 1
Brugia malayi Bromodomain containing protein 0.003 0.0159 0.0159
Schistosoma mansoni hypothetical protein 0.0035 0.0358 0.0202
Giardia lamblia Cathepsin B precursor 0.0064 0.1488 1
Echinococcus granulosus cathepsin b 0.0171 0.5689 1
Mycobacterium ulcerans glutaminase 0.0281 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0751 0.0751
Brugia malayi Papain family cysteine protease containing protein 0.0036 0.0387 0.0387
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.5689 0.5689
Echinococcus multilocularis cathepsin b 0.0171 0.5689 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0406 0.0251
Schistosoma mansoni cathepsin F (C01 family) 0.0065 0.153 0.1393
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0065 0.153 0.153
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.5689 0.5619
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.2832 0.4834
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0358 0.0358
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0159 0.0159
Echinococcus granulosus cathepsin L cysteine proteinase 0.0065 0.153 0.2479
Brugia malayi Cathepsin L-like precursor 0.0065 0.153 0.153
Leishmania major cathepsin L-like protease 0.0065 0.153 0.2892
Leishmania major cathepsin L-like protease 0.0065 0.153 0.2892
Entamoeba histolytica cysteine proteinase, putative 0.0065 0.153 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Onchocerca volvulus 0.0065 0.153 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0065 0.153 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0751 0.0751
Entamoeba histolytica cysteine proteinase, putative 0.0065 0.153 1
Echinococcus multilocularis cathepsin b 0.0171 0.5689 1
Trypanosoma cruzi cysteine proteinase, putative 0.0036 0.0387 0.068
Loa Loa (eye worm) cathepsin B 0.0064 0.1488 0.1488
Echinococcus granulosus cathepsin l1 0.0045 0.0751 0.107
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0406 0.0406
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0065 0.153 0.2479
Echinococcus granulosus cathepsin L cysteine protease 0.0036 0.0387 0.0412
Leishmania major cathepsin L-like protease 0.0065 0.153 0.2892
Brugia malayi jmjC domain containing protein 0.0098 0.2832 0.2832
Onchocerca volvulus Cathepsin L homolog 0.0065 0.153 1
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.5291 0.93
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.5291 0.93
Brugia malayi Cathepsin L-like precursor 0.0065 0.153 0.153
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0065 0.153 0.2479
Schistosoma mansoni jumonji domain containing protein 0.0078 0.2041 0.1913
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0171 0.5689 1
Trypanosoma cruzi cysteine proteinase, putative 0.0036 0.0387 0.068
Onchocerca volvulus 0.0065 0.153 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0159 0.104
Brugia malayi Papain family cysteine protease containing protein 0.0065 0.153 0.153
Brugia malayi jmjC domain containing protein 0.0036 0.0406 0.0406
Brugia malayi PHD-finger family protein 0.003 0.0159 0.0159
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0159 0.104
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Plasmodium vivax vivapain-1 0.0036 0.0387 0.2528
Echinococcus multilocularis cysteine protease 0.0065 0.153 0.2479
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Brugia malayi Cathepsin L-like precursor 0.0045 0.0751 0.0751
Onchocerca volvulus 0.0045 0.0751 0.4314
Brugia malayi MH2 domain containing protein 0.0123 0.3795 0.3795
Brugia malayi cathepsin B-like cysteine proteinase 0.0171 0.5689 0.5689
Plasmodium vivax unspecified product 0.0036 0.0387 0.2528
Plasmodium vivax vivapain-2 0.0065 0.153 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Toxoplasma gondii cathepsin B 0.0064 0.1488 0.9728
Echinococcus granulosus cysteine protease 0.0036 0.0387 0.0412
Plasmodium falciparum cysteine proteinase falcipain 3 0.0065 0.153 1
Brugia malayi Papain family cysteine protease containing protein 0.0036 0.0387 0.0387
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0065 0.153 0.1189
Leishmania major cathepsin L-like protease 0.0161 0.5291 1
Onchocerca volvulus Cathepsin L homolog 0.0065 0.153 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.3795 0.3795
Plasmodium vivax vivapain-3 0.0036 0.0387 0.2528
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0036 0.0387 0.0731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0045 0.0751 0.0751
Onchocerca volvulus 0.0065 0.153 1
Echinococcus granulosus cathepsin L 0.0036 0.0387 0.0412
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0619 0.0832
Leishmania major cathepsin L-like protease 0.0065 0.153 0.2892
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.5291 0.93
Leishmania major cathepsin L-like protease 0.0161 0.5291 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Echinococcus multilocularis cysteine protease 0.0065 0.153 0.2479
Echinococcus multilocularis cathepsin L 0.0036 0.0387 0.0412
Brugia malayi Cathepsin L-like precursor 0.0045 0.0751 0.0751
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Leishmania major cysteine peptidase A (CPA) 0.0065 0.153 0.2892
Trypanosoma cruzi cysteine peptidase, putative 0.0036 0.0387 0.068
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0065 0.153 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0112 0.3368 0.5921
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0406 0.0447
Trypanosoma brucei cysteine peptidase C (CPC) 0.0064 0.1488 0.2813
Plasmodium vivax vivapain-2 0.0065 0.153 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0159 0.104
Loa Loa (eye worm) cysteine protease 0.0065 0.153 0.153
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Loa Loa (eye worm) hypothetical protein 0.0065 0.153 0.153
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0036 0.0387 0.0731
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0171 0.5689 0.5619
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.153 0.2689
Trypanosoma cruzi cruzipain precursor, putative 0.0161 0.5291 0.93
Onchocerca volvulus 0.0065 0.153 1
Onchocerca volvulus 0.0065 0.153 1
Entamoeba histolytica cysteine proteinase, putative 0.0045 0.0751 0.3182
Onchocerca volvulus Cathepsin F homolog 0.0065 0.153 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0993 0.0993
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.5689 0.5619
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Loa Loa (eye worm) fibroinase 0.0065 0.153 0.153
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0993 0.0993
Schistosoma mansoni cathepsin F (C01 family) 0.0065 0.153 0.1393
Brugia malayi Cathepsin L-like precursor 0.0065 0.153 0.153
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.5689 0.5619
Loa Loa (eye worm) ctsf protein 0.0065 0.153 0.153
Echinococcus multilocularis cathepsin L cysteine protease 0.0065 0.153 0.2479
Plasmodium falciparum cysteine proteinase falcipain 1 0.0036 0.0387 0.2528
Loa Loa (eye worm) glutaminase 2 0.0281 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Trichomonas vaginalis glutaminase, putative 0.0281 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.2832 0.4834
Brugia malayi Cathepsin L-like precursor 0.0065 0.153 0.153
Echinococcus granulosus cathepsin b 0.0171 0.5689 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Loa Loa (eye worm) hypothetical protein 0.0035 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0051 0.0998 0.0998
Leishmania major cathepsin L-like protease 0.0161 0.5291 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0036 0.0387 0.0231
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0064 0.1488 0.2616
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.141 0.141
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Echinococcus multilocularis cathepsin L cysteine protease 0.0065 0.153 0.2479
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0751 0.0378
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.153 0.1189
Giardia lamblia Cathepsin B precursor 0.0064 0.1488 1
Onchocerca volvulus 0.0065 0.153 1
Brugia malayi Cathepsin L-like precursor 0.0065 0.153 0.153
Schistosoma mansoni glutaminase 0.0281 1 1
Echinococcus granulosus cathepsin l1 0.0065 0.153 0.2479
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Brugia malayi Cathepsin L-like precursor 0.0065 0.153 0.153
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0406 0.0447
Entamoeba histolytica cysteine protease, putative 0.0065 0.153 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0141 0.4511 0.793
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0036 0.0387 0.068
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0064 0.1488 0.1351
Loa Loa (eye worm) hypothetical protein 0.003 0.0159 0.0159
Schistosoma mansoni cathepsin F (C01 family) 0.0045 0.0751 0.0601
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0065 0.153 0.153
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0065 0.153 0.1189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.5291 1
Toxoplasma gondii cathepsin CPL 0.0065 0.153 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0065 0.153 0.1189
Echinococcus granulosus cathepsin l cysteine peptidase 0.0065 0.153 0.2479
Plasmodium falciparum phd finger protein, putative 0.003 0.0159 0.104
Loa Loa (eye worm) hypothetical protein 0.0045 0.0751 0.0751
Leishmania major cathepsin L-like protease 0.0065 0.153 0.2892
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0406 0.0251
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.3795 0.3795
Loa Loa (eye worm) hypothetical protein 0.0051 0.0993 0.0993
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0064 0.1488 0.1146
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0619 0.0832
Trypanosoma cruzi cysteine protease, putative 0.0036 0.0387 0.068

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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