Detailed information for compound 667745

Basic information

Technical information
  • TDR Targets ID: 667745
  • Name: N-(2-chlorophenyl)-2-[[4-methyl-5-(phenylmeth yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • MW: 372.872 | Formula: C18H17ClN4OS
  • H donors: 1 H acceptors: 3 LogP: 3.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Cl)CSc1nnc(n1C)Cc1ccccc1
  • InChi: 1S/C18H17ClN4OS/c1-23-16(11-13-7-3-2-4-8-13)21-22-18(23)25-12-17(24)20-15-10-6-5-9-14(15)19/h2-10H,11-12H2,1H3,(H,20,24)
  • InChiKey: RUKOOVVHUGWXFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chlorophenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
  • 2-[[5-(benzyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-chlorophenyl)acetamide
  • N-(2-chlorophenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • BAS 02223768
  • ZINC00832550
  • Oprea1_249588

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
Schistosoma mansoni endonuclease related 0.0059 0.0902 0.077
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.1318 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0099 0.214 0.2026
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.4016 0.3929
Schistosoma mansoni DNA polymerase eta 0.0044 0.0407 0.0267
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0894 0.1327
Echinococcus granulosus dna polymerase eta 0.0044 0.0407 0.0267
Schistosoma mansoni alpha-glucosidase 0.0137 0.3323 0.3226
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0058 0.0842 0.1473
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0358 0.0218
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.0141
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0073 0.1318 0.1192
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.1318 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0143 0.1087
Brugia malayi beta-lactamase family protein 0.004 0.0282 0.0141
Onchocerca volvulus 0.0092 0.1917 0.2999
Echinococcus multilocularis ectonucleotide 0.0083 0.1653 0.1531
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0282 0.214
Loa Loa (eye worm) hypothetical protein 0.0083 0.1653 0.1531
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0143 0.1087
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0282 0.0293
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0282 0.1182
Plasmodium vivax hypothetical protein, conserved 0.004 0.0282 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0255 0.7036 0.6993
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0083 0.1653 0.1531
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0129 0.3086 0.4185
Onchocerca volvulus 0.0187 0.4889 0.845
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0187 0.4889 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0099 0.214 0.2026
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.0141
Loa Loa (eye worm) hypothetical protein 0.0099 0.214 0.2026
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.035 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0143 0.1087
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0187 0.4889 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0073 0.1318 0.1192
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0099 0.214 0.2026
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0187 0.4889 1
Schistosoma mansoni hypothetical protein 0.0038 0.0216 0.0073
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Echinococcus granulosus ectonucleotide 0.0083 0.1653 0.1531
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0187 0.4889 0.4815
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0282 0.0293
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0214 0.5734 0.5672
Schistosoma mansoni hypothetical protein 0.0165 0.4215 0.4131
Trichomonas vaginalis esterase, putative 0.004 0.0282 0.0293
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0894 0.0761
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0187 0.4889 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0894 0.0761
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0143 0.1588
Leishmania major hypothetical protein, conserved 0.004 0.0282 0.214
Leishmania major DNA polymerase eta, putative 0.0044 0.0407 0.3084
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0894 0.6779
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Echinococcus multilocularis geminin 0.0165 0.4215 0.4131
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0187 0.4889 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0407 0.0267
Toxoplasma gondii ABC1 family protein 0.004 0.0282 0.3128
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0842 0.6389
Brugia malayi Thrombospondin type 1 domain containing protein 0.0214 0.5734 0.5672
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0407 0.3084
Loa Loa (eye worm) hypothetical protein 0.0038 0.0216 0.0073
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.035 1 1
Schistosoma mansoni hypothetical protein 0.0214 0.5734 0.5672
Schistosoma mansoni lipoxygenase 0.0091 0.1886 0.1768
Loa Loa (eye worm) protein-tyrosine phosphatase 0.035 1 1
Schistosoma mansoni alpha-glucosidase 0.0137 0.3323 0.3226
Leishmania major endonuclease G, putative 0.0059 0.0902 0.6843
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0187 0.4889 0.4815
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.035 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0099 0.214 0.2026
Loa Loa (eye worm) hypothetical protein 0.0099 0.214 0.2026
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0059 0.0902 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.4016 0.3929
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0083 0.1653 0.1531
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0059 0.0902 0.6843
Brugia malayi follicle stimulating hormone receptor 0.0255 0.7036 0.6993
Loa Loa (eye worm) hypothetical protein 0.0099 0.214 0.2026
Schistosoma mansoni lipoxygenase 0.013 0.3111 0.3011
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0059 0.0902 0.6843
Mycobacterium leprae conserved hypothetical protein 0.004 0.0282 0.5
Onchocerca volvulus 0.0099 0.214 0.3408
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0073 0.1318 0.1192
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.0141
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.076 0.0626
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0894 0.1327
Trypanosoma brucei endonuclease G, putative 0.0059 0.0902 0.6458
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0187 0.4889 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0894 0.0761
Schistosoma mansoni hypothetical protein 0.0165 0.4215 0.4131
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0187 0.4889 1
Trypanosoma cruzi endonuclease G, putative 0.0059 0.0902 0.6843
Trypanosoma brucei endonuclease G, putative 0.0059 0.0902 0.6458
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0282 0.0141
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.076 0.0626
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.4016 0.3929
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0894 0.0913
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0187 0.4889 1
Brugia malayi beta-lactamase 0.004 0.0282 0.0141
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0407 0.2241
Trypanosoma brucei endonuclease G, putative 0.0059 0.0902 0.6458
Echinococcus granulosus Endonuclease G 0.0059 0.0902 0.077
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0099 0.214 0.2026
Echinococcus multilocularis Endonuclease G 0.0059 0.0902 0.077
Echinococcus granulosus geminin 0.0165 0.4215 0.4131
Brugia malayi beta-lactamase family protein 0.004 0.0282 0.0141
Mycobacterium leprae Probable lipase LipE 0.004 0.0282 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.013 0.3111 0.3011
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.0141
Loa Loa (eye worm) hypothetical protein 0.0055 0.076 0.0626
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0282 0.0141
Leishmania major hypothetical protein, conserved 0.0058 0.0842 0.6389
Onchocerca volvulus 0.0214 0.5734 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0282 0.0141
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0216 0.0073
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0358 0.0218
Loa Loa (eye worm) hypothetical protein 0.0044 0.0407 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0842 0.6389
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0894 0.1327
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.0141
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0894 0.9906
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0282 0.0141
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.1318 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0073 0.1318 0.1192
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0894 0.0761
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0282 0.214
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.4016 0.3929
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0058 0.0842 0.5949
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0282 0.0293
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0282 0.0141
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Trypanosoma cruzi endonuclease G, putative 0.0059 0.0902 0.6843
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0187 0.4889 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.6982 1
Brugia malayi endonuclease G, mitochondrial precursor 0.0059 0.0902 0.077
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.076 0.0626
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.4016 0.3929
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0187 0.4889 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0282 0.0293
Echinococcus multilocularis dna polymerase eta 0.0044 0.0407 0.0267
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0099 0.214 0.2026
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0073 0.1318 1
Onchocerca volvulus 0.0099 0.214 0.3408
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.0141
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0282 0.0141
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0058 0.0842 0.1473
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0073 0.1318 0.2476
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0073 0.1318 0.1192
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0282 0.0141
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0282 0.0293
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.013 0.3111 0.3011
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0059 0.0902 0.6843

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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