Detailed information for compound 671364

Basic information

Technical information
  • TDR Targets ID: 671364
  • Name: N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoet hyl)methanesulfonamide
  • MW: 326.411 | Formula: C15H22N2O4S
  • H donors: 0 H acceptors: 3 LogP: 1.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N(S(=O)(=O)C)CC(=O)N1CCOCC1
  • InChi: 1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)17(22(2,19)20)12-15(18)16-8-10-21-11-9-16/h4-7H,3,8-12H2,1-2H3
  • InChiKey: IKFWJTRNCXNNIZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-ethylphenyl)-N-(2-morpholino-2-oxo-ethyl)methanesulfonamide
  • N-(4-ethylphenyl)-N-(2-morpholino-2-oxoethyl)methanesulfonamide
  • N-(4-ethylphenyl)-N-(2-keto-2-morpholino-ethyl)methanesulfonamide
  • N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)methanesulfonamide
  • ZINC00460405
  • BAS 04928953
  • N-(4-Ethyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide

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
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.074 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1439 1
Onchocerca volvulus 0.0039 0.0784 0.0177
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2045 0.522
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1003 0.1052
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2045 0.522
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2045 0.522
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1439 0.2138
Loa Loa (eye worm) hypothetical protein 0.0039 0.0784 0.0135
Schistosoma mansoni hypothetical protein 0.0043 0.1003 0.1052
Brugia malayi TAR-binding protein 0.0066 0.2045 0.3988
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1439 0.2138
Mycobacterium leprae Probable lipase LipE 0.0038 0.074 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1439 1
Entamoeba histolytica hypothetical protein 0.0043 0.1003 1
Onchocerca volvulus 0.0092 0.324 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1439 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.2045 0.3988
Loa Loa (eye worm) hypothetical protein 0.0039 0.0784 0.0135
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.074 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.1003 1
Loa Loa (eye worm) sema domain-containing protein 0.0039 0.0784 0.0135
Brugia malayi Sema domain containing protein 0.0039 0.0784 0.0135
Loa Loa (eye worm) plexin A 0.0109 0.4012 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1439 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.2045 0.3988
Entamoeba histolytica hypothetical protein 0.0043 0.1003 1
Entamoeba histolytica hypothetical protein 0.0043 0.1003 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1003 0.0803
Loa Loa (eye worm) hypothetical protein 0.0039 0.0784 0.0135
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1439 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1439 0.2138
Loa Loa (eye worm) hypothetical protein 0.0054 0.1477 0.2253
Loa Loa (eye worm) hypothetical protein 0.0039 0.0784 0.0135
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1439 1
Brugia malayi hypothetical protein 0.0043 0.1003 0.0803
Mycobacterium ulcerans hypothetical protein 0.0038 0.074 0.5
Loa Loa (eye worm) RNA binding protein 0.0066 0.2045 0.3988
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1439 0.2138
Echinococcus multilocularis semaphorin 5B 0.0039 0.0784 0.0135
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1439 1
Echinococcus granulosus semaphorin 5B 0.0039 0.0784 0.0135
Echinococcus multilocularis tar DNA binding protein 0.0066 0.2045 0.3988
Brugia malayi Sema domain containing protein 0.0039 0.0784 0.0135
Echinococcus granulosus plexin a4 0.0109 0.4012 1
Schistosoma mansoni semaphorin 5-related 0.0039 0.0784 0.0177
Loa Loa (eye worm) sema domain-containing protein 0.0039 0.0784 0.0135
Loa Loa (eye worm) hypothetical protein 0.0039 0.0784 0.0135
Brugia malayi MAP kinase sur-1 0.0053 0.1439 0.2138
Echinococcus multilocularis hypothetical protein 0.0039 0.0784 0.0135
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1439 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.074 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.324 0.764
Echinococcus multilocularis plexin a4 0.0109 0.4012 1
Brugia malayi hypothetical protein 0.0039 0.0784 0.0135
Mycobacterium ulcerans beta-lactamase 0.0038 0.074 0.5
Brugia malayi plexin A 0.0109 0.4012 1
Schistosoma mansoni plexin 0.0054 0.1477 0.2949
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1003 0.0803
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1439 1
Schistosoma mansoni hypothetical protein 0.0039 0.0784 0.0177
Loa Loa (eye worm) TAR-binding protein 0.0066 0.2045 0.3988
Trypanosoma brucei protein kinase, putative 0.0053 0.1439 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1439 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1439 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1439 0.2799
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2045 0.522
Echinococcus granulosus semaphorin 1A 0.0039 0.0784 0.0135
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1439 1
Mycobacterium ulcerans lipase LipD 0.0038 0.074 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2045 0.522
Schistosoma mansoni hypothetical protein 0.0039 0.0784 0.0177
Schistosoma mansoni hypothetical protein 0.0054 0.1477 0.2949
Brugia malayi hypothetical protein 0.0039 0.0784 0.0135
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.2045 0.3988
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1439 0.5
Mycobacterium leprae conserved hypothetical protein 0.0038 0.074 0.5
Schistosoma mansoni plexin 0.0092 0.324 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0784 0.0135
Brugia malayi Plexin repeat family protein 0.0092 0.324 0.764
Brugia malayi RNA binding protein 0.0066 0.2045 0.3988
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1439 0.2138

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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