Detailed information for compound 1426302

Basic information

Technical information
  • TDR Targets ID: 1426302
  • Name: N-(2-morpholin-4-ylacenaphthen-1-yl)methanesu lfonamide
  • MW: 332.417 | Formula: C17H20N2O3S
  • H donors: 1 H acceptors: 2 LogP: 1.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)NC1C(N2CCOCC2)c2c3c1cccc3ccc2
  • InChi: 1S/C17H20N2O3S/c1-23(20,21)18-16-13-6-2-4-12-5-3-7-14(15(12)13)17(16)19-8-10-22-11-9-19/h2-7,16-18H,8-11H2,1H3
  • InChiKey: DIRZRJPKBPDNAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-morpholinoacenaphthen-1-yl)methanesulfonamide
  • N-(2-morpholino-1-acenaphthenyl)methanesulfonamide
  • STOCK3S-54264
  • MLS000062475
  • N-[2-(4-morpholinyl)-1,2-dihydro-1-acenaphthylenyl]methanesulfonamide
  • SMR000073233

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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) exodeoxyribonuclease III family protein 0.0023 0.0017 0.0017
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0143 0.0613 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0143 0.0613 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0644 0.3099 0.3099
Loa Loa (eye worm) hypothetical protein 0.0644 0.3099 0.3099
Brugia malayi RNA binding protein 0.1818 0.8918 0.8918
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0074 0.0273 0.0306
Toxoplasma gondii isocitrate dehydrogenase 0.0143 0.0613 1
Loa Loa (eye worm) hypothetical protein 0.045 0.2134 0.2134
Leishmania major hypothetical protein, conserved 0.0102 0.0408 0.656
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.1818 0.8918 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0017 0.0282
Schistosoma mansoni Smad4 0.0074 0.0273 0.0306
Loa Loa (eye worm) MH2 domain-containing protein 0.109 0.531 0.531
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0033 0.0069 0.0325
Brugia malayi MH1 domain containing protein 0.0074 0.0273 0.0273
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0143 0.0613 0.0688
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2037 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0143 0.0613 1
Schistosoma mansoni tar DNA-binding protein 0.1818 0.8918 1
Brugia malayi MH2 domain containing protein 0.109 0.531 0.531
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0143 0.0613 1
Echinococcus granulosus Smad4 0.0074 0.0273 0.0306
Echinococcus granulosus smad 0.0074 0.0273 0.0306
Loa Loa (eye worm) hypothetical protein 0.1392 0.6806 0.6806
Brugia malayi MH1 domain containing protein 0.0041 0.0108 0.0108
Schistosoma mansoni tar DNA-binding protein 0.1818 0.8918 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.0408 0.6657
Loa Loa (eye worm) isocitrate dehydrogenase 0.0143 0.0613 0.0613
Trypanosoma brucei PAB1-binding protein , putative 0.0102 0.0408 0.6657
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0074 0.0273 0.0306
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0069 0.0069
Brugia malayi MH1 domain containing protein 0.0041 0.0108 0.0108
Echinococcus multilocularis mothers against decapentaplegic 5 0.0074 0.0273 0.0306
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0017 0.0282
Schistosoma mansoni smad 0.0033 0.0069 0.0078
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0143 0.0613 1
Brugia malayi isocitrate dehydrogenase 0.0143 0.0613 0.0613
Schistosoma mansoni smad 0.0074 0.0273 0.0306
Loa Loa (eye worm) nuclear factor I 0.0041 0.0108 0.0108
Brugia malayi hypothetical protein 0.0066 0.023 0.023
Schistosoma mansoni hypothetical protein 0.0644 0.3099 0.3475
Brugia malayi N-terminal motif family protein 0.0178 0.0788 0.0788
Schistosoma mansoni ap endonuclease 0.0023 0.0017 0.0019
Loa Loa (eye worm) Smad1 0.0074 0.0273 0.0273
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0143 0.0613 0.0688
Loa Loa (eye worm) TAR-binding protein 0.1818 0.8918 0.8918
Schistosoma mansoni tar DNA-binding protein 0.1818 0.8918 1
Brugia malayi MH1 domain containing protein 0.0074 0.0273 0.0273
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0131 0.0146
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.0408 0.6657
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0143 0.0613 0.0688
Echinococcus multilocularis Smad4 0.0074 0.0273 0.0306
Schistosoma mansoni smad1 5 8 and 0.0074 0.0273 0.0306
Schistosoma mansoni hypothetical protein 0.0046 0.0131 0.0146
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0143 0.0613 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.0408 0.6657
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0143 0.0613 1
Brugia malayi RNA recognition motif domain containing protein 0.1818 0.8918 0.8918
Brugia malayi MH2 domain containing protein 0.0074 0.0273 0.0273
Brugia malayi Latrophilin receptor protein 2 0.0644 0.3099 0.3099
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0017 1
Schistosoma mansoni hypothetical protein 0.0644 0.3099 0.3475
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0017 0.0282
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0017 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0017 1
Schistosoma mansoni ap endonuclease 0.0023 0.0017 0.0019
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0143 0.0613 0.0688
Schistosoma mansoni smad1 5 8 and 0.0074 0.0273 0.0306
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0143 0.0613 0.0688
Schistosoma mansoni smad1 5 8 and 0.0074 0.0273 0.0306
Echinococcus granulosus mothers against decapentaplegic 5 0.0074 0.0273 0.0306
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0017 1
Loa Loa (eye worm) RNA binding protein 0.1818 0.8918 0.8918
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.0788 0.3691
Echinococcus granulosus GPCR family 2 0.0644 0.3099 0.3475
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0644 0.3099 0.3475
Echinococcus multilocularis tar DNA binding protein 0.1818 0.8918 1
Brugia malayi latrophilin 2 splice variant baaae 0.1392 0.6806 0.6806
Echinococcus granulosus mothers against decapentaplegic 6 0.0033 0.0069 0.0078
Loa Loa (eye worm) hypothetical protein 0.0102 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.2037 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0017 1
Brugia malayi hypothetical protein 0.0102 0.0408 0.0408
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0143 0.0613 0.0688
Brugia malayi mothers against decapentaplegic homolog 3 0.0033 0.0069 0.0069
Echinococcus granulosus TGF beta signal transducer SmadC 0.0074 0.0273 0.0306
Echinococcus granulosus tar DNA binding protein 0.1818 0.8918 1
Loa Loa (eye worm) hypothetical protein 0.0178 0.0788 0.0788
Loa Loa (eye worm) MH2 domain-containing protein 0.0074 0.0273 0.0273
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1818 0.8918 0.8918
Echinococcus multilocularis smad 0.0074 0.0273 0.0306
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0143 0.0613 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0143 0.0613 1
Schistosoma mansoni tar DNA-binding protein 0.1818 0.8918 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0074 0.0273 0.0273
Schistosoma mansoni Smad4 0.0033 0.0069 0.0078
Brugia malayi TAR-binding protein 0.1818 0.8918 0.8918
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0644 0.3099 0.3475
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0644 0.3099 0.3475
Schistosoma mansoni hypothetical protein 0.0644 0.3099 0.3475
Schistosoma mansoni hypothetical protein 0.0644 0.3099 0.3475
Brugia malayi Smad1 0.0074 0.0273 0.0273
Brugia malayi MH2 domain containing protein 0.0033 0.0069 0.0069
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0131 0.0146
Loa Loa (eye worm) transcription factor SMAD2 0.109 0.531 0.531
Echinococcus multilocularis mothers against decapentaplegic 2 0.0033 0.0069 0.0078
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0017 0.0019
Brugia malayi hypothetical protein 0.045 0.2134 0.2134
Toxoplasma gondii exonuclease III APE 0.0023 0.0017 0.0282
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0644 0.3099 0.3475
Schistosoma mansoni hypothetical protein 0.1392 0.6806 0.7631
Onchocerca volvulus 0.045 0.2134 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.2037 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0017 0.0017
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0017 0.0282
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0069
Echinococcus multilocularis mothers against decapentaplegic 6 0.0033 0.0069 0.0078
Echinococcus multilocularis isocitrate dehydrogenase 0.0143 0.0613 0.0688
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0017 0.0019
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0017 1
Echinococcus multilocularis GPCR, family 2 0.0644 0.3099 0.3475
Schistosoma mansoni Smad4 0.0033 0.0069 0.0078
Loa Loa (eye worm) hypothetical protein 0.0041 0.0108 0.0108
Loa Loa (eye worm) latrophilin receptor protein 2 0.0644 0.3099 0.3099
Brugia malayi MH2 domain containing protein 0.0074 0.0273 0.0273
Plasmodium vivax ataxin-2 like protein, putative 0.0102 0.0408 0.6657
Toxoplasma gondii LsmAD domain-containing protein 0.0102 0.0408 0.6657
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.0408 0.6657
Brugia malayi Isocitrate dehydrogenase 0.0143 0.0613 0.0613
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0017 1
Chlamydia trachomatis DNA ligase 0.0019 0 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0017 0.0282
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0069 0.0069
Echinococcus granulosus mothers against decapentaplegic 2 0.0033 0.0069 0.0078

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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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