Detailed information for compound 729533

Basic information

Technical information
  • TDR Targets ID: 729533
  • Name: N-(5-fluoro-2-methylphenyl)-2-[(5-phenyl-1H-1 ,2,4-triazol-3-yl)sulfanyl]acetamide
  • MW: 342.391 | Formula: C17H15FN4OS
  • H donors: 2 H acceptors: 3 LogP: 3.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(F)ccc1C)CSc1n[nH]c(n1)c1ccccc1
  • InChi: 1S/C17H15FN4OS/c1-11-7-8-13(18)9-14(11)19-15(23)10-24-17-20-16(21-22-17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
  • InChiKey: YERFOOAFOHJYEN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-fluoro-2-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
  • N-(5-fluoro-2-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
  • N-(5-fluoro-2-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
  • N-(5-fluoro-2-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • ZINC06747482

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 tar DNA-binding protein 0.0278 0.2517 0.3797
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0062 0.036 0.036
Echinococcus granulosus beta LACTamase domain containing family member 0.0076 0.0505 0.0505
Brugia malayi beta-lactamase family protein 0.0076 0.0505 0.1076
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0505 0.0761
Leishmania major hypothetical protein, conserved 0.0138 0.1119 0.3101
Brugia malayi hypothetical protein 0.0138 0.1119 0.2384
Brugia malayi hypothetical protein 0.0089 0.0631 0.1345
Loa Loa (eye worm) hypothetical protein 0.0076 0.0505 0.1076
Schistosoma mansoni survival motor neuron protein 0.0101 0.0752 0.1135
Schistosoma mansoni microtubule-associated protein tau 0.0689 0.6629 1
Schistosoma mansoni tar DNA-binding protein 0.0278 0.2517 0.3797
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0304 0.2784 1
Brugia malayi beta-lactamase family protein 0.0076 0.0505 0.1076
Schistosoma mansoni hypothetical protein 0.0166 0.1401 0.2113
Schistosoma mansoni ferritin 0.0061 0.0353 0.0533
Echinococcus multilocularis tar DNA binding protein 0.0278 0.2517 0.2517
Loa Loa (eye worm) MH2 domain-containing protein 0.0378 0.3519 0.75
Mycobacterium ulcerans lipase LipD 0.0076 0.0505 0.1528
Schistosoma mansoni hypothetical protein 0.0115 0.0894 0.1349
Loa Loa (eye worm) hypothetical protein 0.0052 0.0264 0.0562
Schistosoma mansoni apoferritin-2 0.0061 0.0353 0.0533
Schistosoma mansoni lamin 0.0053 0.0274 0.0413
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0115 0.0894 0.0894
Echinococcus granulosus lamin dm0 0.0053 0.0274 0.0274
Echinococcus granulosus microtubule associated protein 2 0.0689 0.6629 0.6629
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Onchocerca volvulus 0.0076 0.0505 0.094
Loa Loa (eye worm) hypothetical protein 0.0076 0.0505 0.1076
Plasmodium falciparum ataxin-2 like protein, putative 0.0138 0.1119 0.5
Echinococcus multilocularis lamin 0.0053 0.0274 0.0274
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0236 0.025
Brugia malayi Calcitonin receptor-like protein seb-1 0.0364 0.3381 0.7207
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0264 0.0358
Echinococcus multilocularis musashi 0.0053 0.0274 0.0274
Entamoeba histolytica hypothetical protein 0.0036 0.0105 0.5
Echinococcus multilocularis geminin 0.0166 0.1401 0.1401
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0115 0.0894 0.1905
Echinococcus multilocularis survival motor neuron protein 1 0.0495 0.4692 0.4692
Loa Loa (eye worm) hypothetical protein 0.0076 0.0505 0.1076
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.037 0.0763
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.1182 0.3871
Plasmodium falciparum ataxin-2 like protein, putative 0.0138 0.1119 0.5
Schistosoma mansoni ferritin 0.0061 0.0353 0.0533
Loa Loa (eye worm) hypothetical protein 0.0364 0.3381 0.7207
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0027 0.0058
Mycobacterium tuberculosis Conserved protein 0.0076 0.0505 0.0356
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0061 0.0353 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0115 0.0894 0.0894
Schistosoma mansoni tar DNA-binding protein 0.0278 0.2517 0.3797
Brugia malayi MH2 domain containing protein 0.0378 0.3519 0.75
Onchocerca volvulus 0.0299 0.2733 1
Schistosoma mansoni ferritin 0.0061 0.0353 0.0533
Loa Loa (eye worm) RNA binding protein 0.0278 0.2517 0.5365
Loa Loa (eye worm) TAR-binding protein 0.0278 0.2517 0.5365
Schistosoma mansoni apoferritin-2 0.0061 0.0353 0.0533
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0315 0.0555
Echinococcus multilocularis lamin dm0 0.0053 0.0274 0.0274
Echinococcus multilocularis beta LACTamase domain containing family member 0.0076 0.0505 0.0505
Trichomonas vaginalis esterase, putative 0.0076 0.0505 1
Mycobacterium tuberculosis Probable esterase LipL 0.0076 0.0505 0.0356
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.2784 1
Toxoplasma gondii ABC1 family protein 0.0076 0.0505 0.3066
Mycobacterium ulcerans esterase/lipase LipP 0.0076 0.0505 0.1528
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.037 0.0763
Schistosoma mansoni ferritin light chain 0.0061 0.0353 0.0533
Schistosoma mansoni tar DNA-binding protein 0.0278 0.2517 0.3797
Loa Loa (eye worm) hypothetical protein 0.0249 0.223 0.4753
Entamoeba histolytica hypothetical protein 0.0036 0.0105 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.2784 1
Brugia malayi RNA recognition motif domain containing protein 0.0278 0.2517 0.5365
Echinococcus multilocularis tumor protein p63 0.1027 1 1
Onchocerca volvulus 0.0076 0.0505 0.094
Mycobacterium leprae conserved hypothetical protein 0.0076 0.0505 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Mycobacterium ulcerans beta-lactamase 0.0076 0.0505 0.1528
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0076 0.0505 0.1076
Loa Loa (eye worm) hypothetical protein 0.015 0.1244 0.2652
Schistosoma mansoni hypothetical protein 0.0036 0.0105 0.0158
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0505 0.1279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Schistosoma mansoni tar DNA-binding protein 0.0278 0.2517 0.3797
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0274 0.0583
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.0505 0.1279
Mycobacterium tuberculosis Probable hydrolase 0.0076 0.0505 0.0356
Entamoeba histolytica hypothetical protein 0.0036 0.0105 0.5
Brugia malayi hypothetical protein 0.0036 0.0105 0.0224
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0278 0.2517 0.5365
Loa Loa (eye worm) hypothetical protein 0.0115 0.0894 0.1905
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0505 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0115 0.0894 0.0894
Trypanosoma cruzi PAB1-binding protein , putative 0.0138 0.1119 0.3628
Schistosoma mansoni hypothetical protein 0.0115 0.0894 0.1349
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Mycobacterium tuberculosis Conserved protein 0.0076 0.0505 0.0356
Echinococcus granulosus lamin 0.0053 0.0274 0.0274
Echinococcus granulosus ferritin 0.0061 0.0353 0.0353
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0076 0.0505 0.1528
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.1345 0.2329
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0505 0.1279
Echinococcus multilocularis ferritin 0.0061 0.0353 0.0353
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1182 0.3364
Brugia malayi RNA binding protein 0.0278 0.2517 0.5365
Brugia malayi hypothetical protein 0.0299 0.2733 0.5824
Schistosoma mansoni lamin 0.0053 0.0274 0.0413
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0105 0.0105
Loa Loa (eye worm) latrophilin receptor protein 2 0.0115 0.0894 0.1905
Loa Loa (eye worm) hypothetical protein 0.0495 0.4692 1
Brugia malayi latrophilin 2 splice variant baaae 0.0249 0.223 0.4753
Trypanosoma cruzi PAB1-binding protein , putative 0.0138 0.1119 0.3628
Echinococcus granulosus GPCR family 2 0.0115 0.0894 0.0894
Loa Loa (eye worm) transcription factor SMAD2 0.0378 0.3519 0.75
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Echinococcus granulosus expressed protein 0.0061 0.0353 0.0353
Loa Loa (eye worm) hypothetical protein 0.0299 0.2733 0.5824
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0505 0.0761
Loa Loa (eye worm) hypothetical protein 0.0076 0.0505 0.1076
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0076 0.0505 0.0356
Onchocerca volvulus 0.015 0.1244 0.3947
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0505 1
Schistosoma mansoni ferritin 0.0061 0.0353 0.0533
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0274 0.0583
Trypanosoma brucei PAB1-binding protein , putative 0.0138 0.1119 0.3628
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0803 0.7769 0.7769
Leishmania major mitochondrial DNA polymerase beta 0.0304 0.2784 1
Echinococcus granulosus survival motor neuron protein 1 0.0495 0.4692 0.4692
Loa Loa (eye worm) hypothetical protein 0.0138 0.1119 0.2384
Loa Loa (eye worm) beta-lactamase 0.0076 0.0505 0.1076
Schistosoma mansoni hypothetical protein 0.0101 0.0752 0.1135
Schistosoma mansoni intermediate filament proteins 0.0053 0.0274 0.0413
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0364 0.3381 0.7207
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0076 0.0505 0.0356
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0364 0.3381 0.7207
Entamoeba histolytica hypothetical protein 0.0036 0.0105 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.037 0.0763
Schistosoma mansoni cellular tumor antigen P53 0.015 0.1244 0.1877
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0062 0.036 0.036
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0115 0.0894 0.0894
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0105 0.0158
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Schistosoma mansoni hypothetical protein 0.0115 0.0894 0.1349
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0505 1
Echinococcus granulosus intermediate filament protein 0.0053 0.0274 0.0274
Mycobacterium ulcerans hypothetical protein 0.0076 0.0505 0.1528
Brugia malayi intermediate filament protein 0.0053 0.0274 0.0583
Schistosoma mansoni hypothetical protein 0.0062 0.036 0.0543
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0101 0.0752 0.1603
Mycobacterium tuberculosis Conserved protein 0.0076 0.0505 0.0356
Mycobacterium leprae Probable lipase LipE 0.0076 0.0505 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0274 0.0583
Mycobacterium tuberculosis Probable lipase LipE 0.0076 0.0505 0.0356
Plasmodium vivax ataxin-2 like protein, putative 0.0138 0.1119 1
Toxoplasma gondii LsmAD domain-containing protein 0.0138 0.1119 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0274 0.0583
Schistosoma mansoni ferritin light chain 0.0061 0.0353 0.0533
Onchocerca volvulus 0.0076 0.0505 0.094
Loa Loa (eye worm) hypothetical protein 0.0076 0.0505 0.1076
Loa Loa (eye worm) hypothetical protein 0.0076 0.0505 0.1076
Brugia malayi TAR-binding protein 0.0278 0.2517 0.5365
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0076 0.0505 0.1076
Schistosoma mansoni hypothetical protein 0.0249 0.223 0.3364
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.037 0.0763
Onchocerca volvulus 0.0101 0.0752 0.1946
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0487 0.4611 1
Echinococcus multilocularis microtubule associated protein 2 0.0689 0.6629 0.6629
Mycobacterium ulcerans hypothetical protein 0.016 0.1345 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0505 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0076 0.0505 0.0356
Schistosoma mansoni hypothetical protein 0.0166 0.1401 0.2113
Echinococcus multilocularis GPCR, family 2 0.0115 0.0894 0.0894
Mycobacterium tuberculosis Probable lipase LipD 0.0076 0.0505 0.0356
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0505 1
Brugia malayi Latrophilin receptor protein 2 0.0115 0.0894 0.1905
Schistosoma mansoni hypothetical protein 0.0115 0.0894 0.1349
Echinococcus granulosus geminin 0.0166 0.1401 0.1401
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.037 0.0763
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0027 0.0058
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0105 0.0105
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1182 0.3871
Leishmania major hypothetical protein, conserved 0.0076 0.0505 0.0558
Brugia malayi hypothetical protein 0.0495 0.4692 1
Treponema pallidum bacterioferrin (TpF1) 0.0061 0.0353 0.5
Brugia malayi beta-lactamase 0.0076 0.0505 0.1076
Echinococcus multilocularis expressed protein 0.0061 0.0353 0.0353
Echinococcus granulosus tar DNA binding protein 0.0278 0.2517 0.2517

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.