Detailed information for compound 1424785

Basic information

Technical information
  • TDR Targets ID: 1424785
  • Name: N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxal in-2-yl)sulfanylacetamide
  • MW: 408.517 | Formula: C22H24N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1CCOCC1
  • InChi: 1S/C22H24N4O2S/c1-2-16-7-3-4-8-17(16)23-20(27)15-29-22-21(26-11-13-28-14-12-26)24-18-9-5-6-10-19(18)25-22/h3-10H,2,11-15H2,1H3,(H,23,27)
  • InChiKey: BXRWOUAZAATASC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-ethylphenyl)-2-(3-morpholinoquinoxalin-2-yl)sulfanyl-acetamide
  • N-(2-ethylphenyl)-2-[(3-morpholino-2-quinoxalinyl)thio]acetamide
  • N-(2-ethylphenyl)-2-[(3-morpholinoquinoxalin-2-yl)thio]acetamide
  • N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-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
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.085 0.2146 0.3841
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0085 0.0071 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0214 0.0421 0.0754
Echinococcus granulosus GPCR family 2 0.085 0.2146 0.3841
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0214 0.0421 0.0754
Echinococcus granulosus FTZ F1 alpha 0.0824 0.2078 0.3718
Echinococcus multilocularis nibrin 0.0071 0.0033 0.0059
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0071 0.0033 0.5
Brugia malayi TAR-binding protein 0.2119 0.5589 0.5574
Brugia malayi Isocitrate dehydrogenase 0.0214 0.0421 0.039
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0214 0.0421 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2686 0.7126 0.7116
Schistosoma mansoni smad1 5 8 and 0.0255 0.0534 0.0955
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0214 0.0421 1
Schistosoma mansoni smad1 5 8 and 0.0255 0.0534 0.0955
Brugia malayi MH1 domain containing protein 0.0255 0.0534 0.0502
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0214 0.0421 1
Schistosoma mansoni topbp1 0.0071 0.0033 0.0059
Schistosoma mansoni hypothetical protein 0.085 0.2146 0.3841
Brugia malayi RNA recognition motif domain containing protein 0.2119 0.5589 0.5574
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0071 0.0038
Plasmodium vivax ataxin-2 like protein, putative 0.013 0.0195 0.4156
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0214 0.0421 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0255 0.0534 0.0955
Trypanosoma brucei PAB1-binding protein , putative 0.013 0.0195 0.4156
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.085 0.2146 0.3841
Loa Loa (eye worm) hypothetical protein 0.013 0.0195 0.0162
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.0071 1
Schistosoma mansoni hypothetical protein 0.085 0.2146 0.3841
Brugia malayi hypothetical protein 0.013 0.0195 0.0162
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0214 0.0421 0.0754
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0214 0.0421 0.0754
Trichomonas vaginalis replication factor C large subunit, putative 0.0071 0.0033 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.0293 0.0524
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0085 0.0071 0.0128
Echinococcus granulosus Smad4 0.0255 0.0534 0.0955
Echinococcus granulosus mothers against decapentaplegic 5 0.0255 0.0534 0.0955
Echinococcus multilocularis FTZ F1 alpha 0.0208 0.0405 0.0724
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.0071 1
Brugia malayi RNA binding protein 0.2119 0.5589 0.5574
Giardia lamblia Replication factor C, subunit 1 0.0071 0.0033 0.5
Echinococcus granulosus replication factor c subunit 1 0.0071 0.0033 0.0059
Echinococcus multilocularis mothers against decapentaplegic 6 0.0114 0.0151 0.027
Loa Loa (eye worm) MH1 domain-containing protein 0.0255 0.0534 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0208 0.0405 0.0373
Schistosoma mansoni topbp1 0.0071 0.0033 0.0059
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0071 0.0033 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.2686 0.7126 0.7116
Onchocerca volvulus 0.0148 0.0244 0.1093
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0783 0.1965 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0085 0.0071 0.0128
Loa Loa (eye worm) MH2 domain-containing protein 0.0255 0.0534 0.0502
Loa Loa (eye worm) MH1 domain-containing protein 0.0114 0.0151 0.0118
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.0071 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0114 0.0151 0.0118
Echinococcus granulosus TGF beta signal transducer SmadC 0.0255 0.0534 0.0955
Echinococcus granulosus nibrin 0.0071 0.0033 0.0059
Brugia malayi hypothetical protein 0.0148 0.0244 0.0212
Brugia malayi Latrophilin receptor protein 2 0.085 0.2146 0.212
Schistosoma mansoni DNA ligase IV 0.0071 0.0033 0.0059
Loa Loa (eye worm) RNA binding protein 0.2119 0.5589 0.5574
Schistosoma mansoni Smad4 0.0114 0.0151 0.027
Schistosoma mansoni smad1 5 8 and 0.0255 0.0534 0.0955
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0214 0.0421 0.0754
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0214 0.0421 0.0754
Echinococcus multilocularis replication factor c subunit 1 0.0071 0.0033 0.0059
Toxoplasma gondii LsmAD domain-containing protein 0.013 0.0195 0.4156
Schistosoma mansoni tar DNA-binding protein 0.2119 0.5589 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0214 0.0421 1
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.0195 0.4156
Schistosoma mansoni hypothetical protein 0.085 0.2146 0.3841
Schistosoma mansoni smad 0.0255 0.0534 0.0955
Brugia malayi N-terminal motif family protein 0.0783 0.1965 0.1938
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0208 0.0405 0.0373
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.0071 0.0984
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.2119 0.5589 0.5574
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0214 0.0421 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0085 0.0071 1
Schistosoma mansoni hypothetical protein 0.085 0.2146 0.3841
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.085 0.2146 0.3841
Loa Loa (eye worm) isocitrate dehydrogenase 0.0214 0.0421 0.039
Loa Loa (eye worm) hypothetical protein 0.0114 0.0151 0.0118
Schistosoma mansoni smad 0.0114 0.0151 0.027
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0214 0.0421 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0071 0.0033 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.0071 1
Brugia malayi isocitrate dehydrogenase 0.0214 0.0421 0.039
Brugia malayi MH2 domain containing protein 0.0255 0.0534 0.0502
Schistosoma mansoni tar DNA-binding protein 0.2119 0.5589 1
Echinococcus granulosus tar DNA binding protein 0.2119 0.5589 1
Toxoplasma gondii isocitrate dehydrogenase 0.0214 0.0421 1
Schistosoma mansoni tar DNA-binding protein 0.2119 0.5589 1
Brugia malayi Probable ClpP-like protease 0.0085 0.0071 0.0038
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0214 0.0421 0.0754
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0255 0.0534 0.0955
Brugia malayi MH1 domain containing protein 0.0141 0.0225 0.0192
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0214 0.0421 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0114 0.0151 0.027
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.085 0.2146 0.3841
Loa Loa (eye worm) Smad1 0.0255 0.0534 0.0502
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0085 0.0071 0.0128
Brugia malayi mothers against decapentaplegic homolog 3 0.0114 0.0151 0.0118
Loa Loa (eye worm) TAR-binding protein 0.2119 0.5589 0.5574
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0208 0.0405 0.0724
Echinococcus multilocularis smad 0.0255 0.0534 0.0955
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0114 0.0151 0.0611
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2686 0.7126 0.7116
Loa Loa (eye worm) hypothetical protein 0.0141 0.0225 0.0192
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.085 0.2146 0.212
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0071 0.0033 0.5
Brugia malayi hypothetical protein 0.0084 0.007 0.0036
Toxoplasma gondii isocitrate dehydrogenase 0.0214 0.0421 1
Echinococcus multilocularis GPCR, family 2 0.085 0.2146 0.3841
Brugia malayi MH1 domain containing protein 0.0255 0.0534 0.0502
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.2686 0.7126 0.7116
Echinococcus granulosus mothers against decapentaplegic 2 0.0114 0.0151 0.027
Echinococcus multilocularis mothers against decapentaplegic 5 0.0255 0.0534 0.0955
Brugia malayi MH1 domain containing protein 0.0141 0.0225 0.0192
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.0071 0.0984
Entamoeba histolytica hypothetical protein 0.0071 0.0033 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.3745 1 1
Loa Loa (eye worm) nuclear factor I 0.0141 0.0225 0.0192
Echinococcus granulosus mothers against decapentaplegic 6 0.0114 0.0151 0.027
Schistosoma mansoni Smad4 0.0114 0.0151 0.027
Brugia malayi latrophilin 2 splice variant baaae 0.1836 0.4821 0.4804
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.0071 1
Echinococcus multilocularis Smad4 0.0255 0.0534 0.0955
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0033 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.0071 0.0984
Brugia malayi MH2 domain containing protein 0.0255 0.0534 0.0502
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0208 0.0405 0.0724
Loa Loa (eye worm) hypothetical protein 0.0783 0.1965 0.1938
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0208 0.0405 0.0724
Echinococcus multilocularis tar DNA binding protein 0.2119 0.5589 1
Schistosoma mansoni tar DNA-binding protein 0.2119 0.5589 1
Loa Loa (eye worm) hypothetical protein 0.085 0.2146 0.212
Loa Loa (eye worm) latrophilin receptor protein 2 0.085 0.2146 0.212
Echinococcus granulosus smad 0.0255 0.0534 0.0955
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0071 0.0033 0.5
Schistosoma mansoni tar DNA-binding protein 0.2119 0.5589 1
Brugia malayi MH2 domain containing protein 0.0114 0.0151 0.0118
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0033 0.5
Brugia malayi Smad1 0.0255 0.0534 0.0502
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.0195 0.4156
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.0071 0.0984
Schistosoma mansoni hypothetical protein 0.1836 0.4821 0.8626
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.0195 0.4156
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0033 0.5
Schistosoma mansoni chromosome transmission fidelity factor 0.0071 0.0033 0.0059
Loa Loa (eye worm) hypothetical protein 0.0208 0.0405 0.0373
Loa Loa (eye worm) hypothetical protein 0.1836 0.4821 0.4804
Loa Loa (eye worm) MH2 domain-containing protein 0.3745 1 1
Schistosoma mansoni Smad4 0.0255 0.0534 0.0955
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.0195 0.4156
Loa Loa (eye worm) hypothetical protein 0.0148 0.0244 0.0212

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4654 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] 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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