Detailed information for compound 704327

Basic information

Technical information
  • TDR Targets ID: 704327
  • Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2- yl]-2-(4-fluorophenyl)sulfanylacetamide
  • MW: 389.401 | Formula: C18H16FN3O4S
  • H donors: 1 H acceptors: 3 LogP: 3.2 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1c1nnc(o1)NC(=O)CSc1ccc(cc1)F
  • InChi: 1S/C18H16FN3O4S/c1-24-12-5-8-14(15(9-12)25-2)17-21-22-18(26-17)20-16(23)10-27-13-6-3-11(19)4-7-13/h3-9H,10H2,1-2H3,(H,20,22,23)
  • InChiKey: CERHPBSQNTXKSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanyl-acetamide
  • N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)thio]acetamide
  • N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide
  • ZINC04496785

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
Loa Loa (eye worm) hypothetical protein 0.0037 0.0695 0.0665
Mycobacterium ulcerans hypothetical protein 0.0037 0.0695 0.053
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0695 0.053
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0174 0.0305
Onchocerca volvulus 0.0023 0.0174 0.2135
Onchocerca volvulus 0.0023 0.0174 0.2135
Echinococcus multilocularis musashi 0.0029 0.0416 0.0826
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0174 0.0142
Echinococcus multilocularis lamin dm0 0.0029 0.0416 0.0826
Trichomonas vaginalis histone deacetylase, putative 0.0066 0.1701 0.1554
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0416 0.0416
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0695 0.3973
Plasmodium vivax histone deacetylase 1, putative 0.0066 0.1701 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0695 0.0665
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0695 0.0695
Brugia malayi Carboxylesterase family protein 0.0134 0.4144 0.4144
Schistosoma mansoni histone deacetylase 0.0066 0.1701 0.1673
Echinococcus granulosus intermediate filament protein 0.0029 0.0416 0.0826
Loa Loa (eye worm) glutaminase 2 0.0299 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0347 0.1887
Onchocerca volvulus 0.0023 0.0174 0.2135
Onchocerca volvulus 0.0029 0.0416 0.5783
Loa Loa (eye worm) hypothetical protein 0.0029 0.0416 0.0384
Leishmania major histone deacetylase, putative 0.0066 0.1701 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0347 0.1887
Brugia malayi intermediate filament protein 0.0029 0.0416 0.0416
Echinococcus multilocularis acetylcholinesterase 0.0134 0.4144 0.8863
Schistosoma mansoni intermediate filament proteins 0.0029 0.0416 0.0384
Echinococcus multilocularis lamin 0.0029 0.0416 0.0826
Echinococcus multilocularis histone deacetylase 3 0.0066 0.1701 0.3595
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0347 0.1887
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0142
Schistosoma mansoni histone deacetylase 0.0066 0.1701 0.1673
Echinococcus granulosus histone deacetylase 1 0.0066 0.1701 0.3595
Brugia malayi Carboxylesterase family protein 0.0023 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0142
Brugia malayi Histone deacetylase family protein 0.0019 0.0033 0.0033
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0695 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0695 0.0665
Loa Loa (eye worm) hypothetical protein 0.0029 0.0397 0.0365
Brugia malayi beta-lactamase 0.0037 0.0695 0.0695
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.7854 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0695 0.0665
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0174 0.0305
Trypanosoma cruzi histone deacetylase 1, putative 0.0066 0.1701 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1701 0.1673
Brugia malayi Carboxylesterase family protein 0.0134 0.4144 0.4144
Brugia malayi hypothetical protein 0.0023 0.0174 0.0174
Brugia malayi Carboxylesterase family protein 0.0023 0.0174 0.0174
Mycobacterium tuberculosis Conserved protein 0.0037 0.0695 0.0679
Loa Loa (eye worm) hypothetical protein 0.0037 0.0695 0.0665
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0066 0.1701 0.1554
Echinococcus multilocularis muscleblind protein 0.0149 0.4672 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4144 0.4125
Loa Loa (eye worm) carboxylesterase 0.0023 0.0174 0.0142
Echinococcus granulosus carboxylesterase 5A 0.0134 0.4144 0.8863
Loa Loa (eye worm) hypothetical protein 0.0037 0.0695 0.0665
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0142
Brugia malayi Histone deacetylase family protein 0.0019 0.0033 0.0033
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0695 0.053
Mycobacterium ulcerans glutaminase 0.0299 1 1
Brugia malayi hypothetical protein 0.0028 0.0347 0.0347
Mycobacterium tuberculosis Conserved protein 0.0037 0.0695 0.0679
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0695 0.0679
Loa Loa (eye worm) histone deacetylase 3 0.0066 0.1701 0.1673
Loa Loa (eye worm) carboxylesterase 0.0023 0.0174 0.0142
Echinococcus multilocularis carboxylesterase 5A 0.0134 0.4144 0.8863
Brugia malayi histone deacetylase 11 0.0019 0.0033 0.0033
Trichomonas vaginalis histone deacetylase, putative 0.0066 0.1701 0.1554
Echinococcus granulosus histone deacetylase 3 0.0066 0.1701 0.3595
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0347 0.1887
Onchocerca volvulus 0.0029 0.0416 0.5783
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0174 0.0142
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0347 0.1887
Loa Loa (eye worm) hypothetical protein 0.0028 0.0347 0.0316
Mycobacterium ulcerans lipase LipD 0.0037 0.0695 0.053
Loa Loa (eye worm) beta-lactamase 0.0037 0.0695 0.0665
Toxoplasma gondii ABC1 family protein 0.0037 0.0695 0.3973
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0695 0.3973
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0695 0.3973
Loa Loa (eye worm) glutaminase 0.0299 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0066 0.1701 0.1554
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 0.4144 0.4125
Giardia lamblia Histone deacetylase 0.0066 0.1701 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0142
Leishmania major hypothetical protein, conserved 0.0028 0.0347 0.1887
Loa Loa (eye worm) hypothetical protein 0.0149 0.4672 0.4655
Toxoplasma gondii histone deacetylase HDAC2 0.0066 0.1701 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0416 0.0384
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0174 0.0142
Trypanosoma cruzi histone deacetylase 1, putative 0.0066 0.1701 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0695 0.0679
Brugia malayi Muscleblind-like protein 0.0149 0.4672 0.4672
Echinococcus granulosus neuroligin 0.0023 0.0174 0.0305
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0347 0.1887
Brugia malayi Carboxylesterase family protein 0.0023 0.0174 0.0174
Trichomonas vaginalis histone deacetylase, putative 0.0066 0.1701 0.1554
Echinococcus granulosus muscleblind protein 0.0149 0.4672 1
Echinococcus multilocularis histone deacetylase 1 0.0066 0.1701 0.3595
Trichomonas vaginalis glutaminase, putative 0.0299 1 1
Brugia malayi beta-lactamase family protein 0.0037 0.0695 0.0695
Mycobacterium tuberculosis Conserved protein 0.0037 0.0695 0.0679
Entamoeba histolytica histone deacetylase, putative 0.0066 0.1701 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0695 0.053
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0695 0.1428
Mycobacterium leprae Probable lipase LipE 0.0037 0.0695 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0695 0.053
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0695 0.053
Toxoplasma gondii histone deacetylase HDAC3 0.0066 0.1701 1
Brugia malayi histone deacetylase 3 (HD3) 0.0066 0.1701 0.1701
Brugia malayi histone deacetylase 1 (HD1) 0.0066 0.1701 0.1701
Brugia malayi Carboxylesterase family protein 0.0023 0.0174 0.0174
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0695 0.0679
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0695 0.3973
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0695 0.1428
Trichomonas vaginalis histone deacetylase, putative 0.0066 0.1701 0.1554
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0066 0.1701 0.1554
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0174 0.0305
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0347 0.1887
Onchocerca volvulus 0.0037 0.0695 1
Trichomonas vaginalis esterase, putative 0.0037 0.0695 0.053
Brugia malayi beta-lactamase family protein 0.0037 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0142
Schistosoma mansoni lamin 0.0029 0.0416 0.0384
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0174 0.0142
Echinococcus multilocularis neuroligin 0.0023 0.0174 0.0305
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0695 0.0679
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0695 0.0679
Schistosoma mansoni lamin 0.0029 0.0416 0.0384
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0695 0.0665
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0695 0.0679
Leishmania major hypothetical protein, conserved 0.0037 0.0695 0.3973
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0174 0.0305
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 0.4144 0.4125
Loa Loa (eye worm) carboxylesterase 0.0134 0.4144 0.4125
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0695 0.0679
Onchocerca volvulus 0.0023 0.0174 0.2135
Trypanosoma brucei histone deacetylase 1 0.0066 0.1701 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0695 0.053
Schistosoma mansoni gliotactin 0.0023 0.0174 0.0142
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0142
Leishmania major histone deacetylase, putative 0.0066 0.1701 1
Onchocerca volvulus 0.0037 0.0695 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0174 0.0142
Loa Loa (eye worm) hypothetical protein 0.0023 0.0174 0.0142
Schistosoma mansoni glutaminase 0.0299 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0695 0.053
Echinococcus granulosus acetylcholinesterase 0.0134 0.4144 0.8863
Loa Loa (eye worm) hypothetical protein 0.0149 0.4672 0.4655
Loa Loa (eye worm) histone deacetylase 1 0.0066 0.1701 0.1673
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0695 0.0665
Echinococcus multilocularis muscleblind protein 1 0.0149 0.4672 1
Trichomonas vaginalis histone deacetylase, putative 0.0066 0.1701 0.1554
Mycobacterium ulcerans beta-lactamase 0.0037 0.0695 0.053
Loa Loa (eye worm) hypothetical protein 0.0037 0.0695 0.0665
Loa Loa (eye worm) hypothetical protein 0.0134 0.4144 0.4125
Onchocerca volvulus 0.0023 0.0174 0.2135
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0174 0.0305
Echinococcus granulosus acetylcholinesterase 0.0134 0.4144 0.8863
Onchocerca volvulus 0.0037 0.0695 1
Echinococcus granulosus lamin 0.0029 0.0416 0.0826
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0416 0.0384
Echinococcus granulosus lamin dm0 0.0029 0.0416 0.0826
Plasmodium falciparum histone deacetylase 1 0.0066 0.1701 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0174 0.0305
Brugia malayi Histone deacetylase 1 0.0066 0.1701 0.1701
Trichomonas vaginalis histone deacetylase, putative 0.0066 0.1701 0.1554
Echinococcus multilocularis acetylcholinesterase 0.0134 0.4144 0.8863
Schistosoma mansoni acetylcholinesterase 0.0023 0.0174 0.0142

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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