Detailed information for compound 1607717

Basic information

Technical information
  • TDR Targets ID: 1607717
  • Name: 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]a cetamide
  • MW: 315.387 | Formula: C17H17NO3S
  • H donors: 2 H acceptors: 3 LogP: 2.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C[S+](Cc1ccccc1c1ccc(cc1)C(=O)C)[O-]
  • InChi: 1S/C17H17NO3S/c1-12(19)13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-22(21)11-17(18)20/h2-9H,10-11H2,1H3,(H2,18,20)
  • InChiKey: ZFOAXQTVAXNTAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-acetylphenyl)benzyl]sulfinylacetamide
  • 2-[[2-(4-ethanoylphenyl)phenyl]methylsulfinyl]ethanamide

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) vesicle-fusing ATPase 0.0017 0.0054 0.0054
Brugia malayi Isocitrate dehydrogenase 0.0926 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0112 0.1101 0.1101
Toxoplasma gondii isocitrate dehydrogenase 0.0926 1 1
Leishmania major histone deacetylase, putative 0.0032 0.0224 0.0057
Trypanosoma brucei histone deacetylase 3 0.0032 0.0224 0.0057
Toxoplasma gondii histone deacetylase HDAC1 0.0032 0.0224 0.0167
Trichomonas vaginalis histone deacetylase, putative 0.0069 0.0623 0.4789
Trypanosoma brucei histone deacetylase 2 0.0032 0.0224 0.0057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0926 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0112 0.1101 0.1101
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0926 1 1
Echinococcus multilocularis histone deacetylase 6 0.0032 0.0224 0.0224
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0112 0.1101 0.0934
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.0331 0.3487 1
Echinococcus granulosus histone deacetylase 6 0.0032 0.0224 0.0041
Schistosoma mansoni histone deacetylase 0.0069 0.0623 0.0623
Echinococcus granulosus histone deacetylase 6 0.0032 0.0224 0.0041
Loa Loa (eye worm) histone deacetylase 7A 0.0032 0.0224 0.0224
Brugia malayi Histone deacetylase family protein 0.0032 0.0224 0.0224
Schistosoma mansoni rab6-interacting 0.0097 0.0931 0.0931
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0029 0.0184 0.0184
Echinococcus granulosus lipoxygenase domain containing protein 0.0097 0.0931 0.0762
Plasmodium vivax histone deacetylase 2, putative 0.0032 0.0224 0.0057
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0926 1 1
Plasmodium vivax histone deacetylase 1, putative 0.0069 0.0623 0.0463
Echinococcus multilocularis histone deacetylase 6 0.0032 0.0224 0.0224
Trypanosoma cruzi histone deacetylase, putative 0.0032 0.0224 0.0057
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.058 0.6216 0.6216
Schistosoma mansoni rab6-interacting 0.0097 0.0931 0.0931
Echinococcus granulosus histone deacetylase 7 0.0032 0.0224 0.0041
Echinococcus granulosus histone deacetylase 1 0.0069 0.0623 0.0447
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0331 0.3487 0.3449
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0069 0.0623 0.4789
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0112 0.1101 0.1101
Toxoplasma gondii cell division protein CDC48AP 0.0017 0.0058 0.00000012392
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0926 1 1
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0331 0.3487 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0112 0.1101 1
Echinococcus granulosus histone deacetylase 8 0.0032 0.0224 0.0041
Trichomonas vaginalis histone deacetylase, putative 0.0069 0.0623 0.4789
Trypanosoma cruzi histone deacetylase, putative 0.0032 0.0224 0.0057
Brugia malayi vesicle-fusing ATPase 0.0017 0.0054 0.0054
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0926 1 1
Leishmania major isocitrate dehydrogenase, putative 0.0112 0.1101 0.0949
Trypanosoma brucei histone deacetylase, putative 0.0032 0.0224 0.0057
Brugia malayi Doublecortin family protein 0.0097 0.0931 0.0931
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0331 0.3487 0.3376
Plasmodium falciparum LCCL domain-containing protein 0.0097 0.0931 0.0777
Loa Loa (eye worm) doublecortin family protein 0.0097 0.0931 0.0931
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0331 0.3487 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0069 0.0623 0.0463
Toxoplasma gondii cell division protein CDC48CY 0.0029 0.0184 0.0127
Loa Loa (eye worm) hypothetical protein 0.0097 0.0931 0.0931
Echinococcus granulosus RUN 0.0097 0.0931 0.0762
Loa Loa (eye worm) histone deacetylase 11 0.0032 0.0224 0.0224
Echinococcus granulosus arachidonate 5 lipoxygenase 0.058 0.6216 0.6145
Plasmodium falciparum histone deacetylase, putative 0.0032 0.0224 0.0057
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0331 0.3487 0.3376
Brugia malayi histone deacetylase 11 0.0032 0.0224 0.0224
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0112 0.1101 0.1101
Leishmania major histone deacetylase, putative 0.0069 0.0623 0.0463
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0926 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0926 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0069 0.0623 0.4789
Onchocerca volvulus 0.0097 0.0931 1
Echinococcus multilocularis histone deacetylase 3 0.0069 0.0623 0.0623
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0029 0.0184 0.0184
Schistosoma mansoni loxhd1 0.0097 0.0931 0.0931
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0069 0.0623 0.4789
Plasmodium vivax histone deacetylase, putative 0.0032 0.0224 0.0057
Brugia malayi hypothetical protein 0.0097 0.0931 0.0931
Loa Loa (eye worm) histone deacetylase 0.0032 0.0224 0.0224
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0112 0.1101 0.1049
Echinococcus granulosus histone deacetylase 0.0032 0.0224 0.0041
Echinococcus multilocularis histone deacetylase 1 0.0069 0.0623 0.0623
Schistosoma mansoni lipoxygenase 0.058 0.6216 0.6216
Echinococcus multilocularis histone deacetylase 8 0.0032 0.0224 0.0224
Toxoplasma gondii histone deacetylase HDAC4 0.0032 0.0224 0.0167
Schistosoma mansoni unc-13 (munc13) 0.0112 0.1101 0.1101
Trichomonas vaginalis histone deacetylase, putative 0.0069 0.0623 0.4789
Plasmodium vivax multidomain scavenger receptor, putative 0.0097 0.0931 0.0777
Trichomonas vaginalis histone deacetylase, putative 0.0069 0.0623 0.4789
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0926 1 1
Echinococcus multilocularis RUN 0.0097 0.0931 0.0931
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0112 0.1101 0.0934
Echinococcus multilocularis histone deacetylase 0.0032 0.0224 0.0224
Giardia lamblia Histone deacetylase 0.0069 0.0623 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0926 1 1
Schistosoma mansoni lipoxygenase 0.0405 0.4306 0.4306
Trypanosoma cruzi histone deacetylase, putative 0.0032 0.0224 0.0057
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0112 0.1101 0.1101
Echinococcus multilocularis histone deacetylase 7 0.0032 0.0224 0.0224
Brugia malayi hypothetical protein 0.0097 0.0931 0.0931
Schistosoma mansoni isocitrate dehydrogenase 0.0112 0.1101 0.1101
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0079 0.074 0.0686
Schistosoma mansoni histone deacetylase 0.0069 0.0623 0.0623
Plasmodium vivax histone deacetylase, putative 0.0032 0.0224 0.0057
Loa Loa (eye worm) histone deacetylase 1 0.0069 0.0623 0.0623
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0926 1 1
Entamoeba histolytica histone deacetylase, putative 0.0069 0.0623 0.4879
Brugia malayi Histone deacetylase 1 0.0069 0.0623 0.0623
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0112 0.1101 0.3042
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0926 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0069 0.0623 0.4789
Loa Loa (eye worm) hypothetical protein 0.0032 0.0224 0.0224
Echinococcus multilocularis lipoxygenase domain containing protein 0.0097 0.0931 0.0931
Trypanosoma brucei histone deacetylase 4 0.0032 0.0224 0.0057
Schistosoma mansoni polycystin 1-related 0.0097 0.0931 0.0931
Echinococcus multilocularis lipoxygenase domain containing protein 0.0097 0.0931 0.0931
Schistosoma mansoni histone deacetylase 4 5 0.0032 0.0224 0.0224
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0926 1 1
Brugia malayi valosin containing protein 0.0017 0.0054 0.0054
Trypanosoma cruzi histone deacetylase, putative 0.0032 0.0224 0.0057
Toxoplasma gondii histone deacetylase HDAC3 0.0069 0.0623 0.0568
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0112 0.1101 0.1101
Brugia malayi Histone deacetylase family protein 0.0032 0.0224 0.0224
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0926 1 1
Echinococcus multilocularis histone deacetylase 6 0.0032 0.0224 0.0224
Brugia malayi histone deacetylase 1 (HD1) 0.0069 0.0623 0.0623
Trypanosoma cruzi histone deacetylase, putative 0.0032 0.0224 0.0057
Schistosoma mansoni histone deacetylase 4 5 0.0032 0.0224 0.0224
Echinococcus granulosus histone deacetylase 6 0.0032 0.0224 0.0041
Echinococcus granulosus histone deacetylase 3 0.0069 0.0623 0.0447
Schistosoma mansoni hypothetical protein 0.0097 0.0931 0.0931
Plasmodium falciparum histone deacetylase 1 0.0069 0.0623 0.0463
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0331 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0623 0.0623
Leishmania major histone deacetylase, putative 0.0069 0.0623 0.0463
Onchocerca volvulus Histone deacetylase 10 homolog 0.0032 0.0224 0.0539
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0069 0.0623 0.4789
Toxoplasma gondii isocitrate dehydrogenase 0.0926 1 1
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0112 0.1101 1
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0112 0.1101 0.1101
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0926 1 1
Plasmodium falciparum histone deacetylase 2 0.0032 0.0224 0.0057
Echinococcus multilocularis Polycystic kidney disease protein 0.0097 0.0931 0.0931
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0112 0.1101 0.1101
Echinococcus multilocularis isocitrate dehydrogenase 0.0926 1 1
Leishmania major histone deacetylase, putative 0.0032 0.0224 0.0057
Schistosoma mansoni histone deacetylase hda2 0.0032 0.0224 0.0224
Trypanosoma brucei histone deacetylase 1 0.0069 0.0623 0.0463
Trypanosoma cruzi histone deacetylase 1, putative 0.0069 0.0623 0.0463
Toxoplasma gondii histone deacetylase HDAC5 0.0032 0.0224 0.0167
Onchocerca volvulus 0.0097 0.0931 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0032 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0112 0.1101 0.1101
Brugia malayi Probable isocitrate dehydrogenase 0.0112 0.1101 0.1101
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0926 1 1
Echinococcus granulosus Polycystic kidney disease protein 0.0097 0.0931 0.0762
Toxoplasma gondii histone deacetylase HDAC2 0.0069 0.0623 0.0568
Loa Loa (eye worm) hypothetical protein 0.0097 0.0931 0.0931
Brugia malayi histone deacetylase 3 (HD3) 0.0069 0.0623 0.0623
Loa Loa (eye worm) histone deacetylase 3 0.0069 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0017 0.0054 0.0054
Schistosoma mansoni histone deacetylase hda2 0.0032 0.0224 0.0224
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0027 0.0168 0.0168
Echinococcus granulosus lipoxygenase domain containing protein 0.0097 0.0931 0.0762
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0331 0.3487 0.5

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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