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

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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