Detailed information for compound 26539

Basic information

Technical information
  • TDR Targets ID: 26539
  • Name: 1-((2-(Diethylamino)ethyl)amino)-4-methylthio xanthen-9-one
  • MW: 340.482 | Formula: C20H24N2OS
  • H donors: 1 H acceptors: 1 LogP: 5.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC
  • InChi: 1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3
  • InChiKey: FBQPGGIHOFZRGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2-diethylaminoethylamino)-4-methylthioxanthen-9-one
  • 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one
  • 1-(2-diethylaminoethylamino)-4-methyl-9-thioxanthenone
  • 1-[[2-(Diethylamino)ethyl]amino]-4-methylthioxanthone
  • 1-{[2-(Diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one
  • 479-50-5
  • 5-18-11-00503 (Beilstein Handbook Reference)
  • 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl- (9CI)
  • AI3-16160
  • AIDS-013879
  • AIDS013879
  • BRN 0312369
  • C11715
  • CCRIS 1106
  • EINECS 207-532-4
  • Lucanthon
  • Lucanthone
  • Lucanthone hydrochloride
  • Lucanthone monohydrochloride
  • Lucanthonum [inn-latin]
  • Lucantona [inn-spanish]
  • NCI60_000988
  • NCIMech_000830
  • Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trichomonas vaginalis ap endonuclease, putative 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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 falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania braziliensis 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Theileria parva hypothetical protein 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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 mansoni ap endonuclease 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0083 0.0742 0.0747
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0925 0.1427
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0059 0.0091
Schistosoma mansoni Smad4 0.0043 0.0226 0.035
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0059 0.0091
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2295 0.3543
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.0226 0.035
Schistosoma mansoni smad1 5 8 and 0.0043 0.0226 0.035
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2295 0.3543
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0214 0.033
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0083 0.0742 0.0747
Loa Loa (eye worm) hypothetical protein 0.0051 0.0334 0.0362
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0059 0.0059
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0248 0.0384
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0059 0.0059
Schistosoma mansoni survival motor neuron protein 0.0047 0.0279 0.0431
Schistosoma mansoni patched 1 0.0042 0.0214 0.033
Onchocerca volvulus Huntingtin homolog 0.0122 0.1229 0.4476
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.019 0.2098 0.2112
Onchocerca volvulus 0.0235 0.2675 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0059 0.0002
Onchocerca volvulus 0.003 0.0059 0.0006
Brugia malayi MH1 domain containing protein 0.0043 0.0226 0.0221
Loa Loa (eye worm) hypothetical protein 0.0122 0.1229 0.1532
Loa Loa (eye worm) RNA binding protein 0.0205 0.2295 0.2926
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0214 0.033
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0083 0.0742 1
Brugia malayi RNA recognition motif domain containing protein 0.0205 0.2295 0.2926
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0059 0.0091
Toxoplasma gondii isocitrate dehydrogenase 0.0083 0.0742 1
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0059 0.0002
Entamoeba histolytica hypothetical protein 0.019 0.2098 1
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0059 0.0006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0057 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0059 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0059 0.0002
Schistosoma mansoni hypothetical protein 0.0534 0.6477 1
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0059 0.0091
Toxoplasma gondii isocitrate dehydrogenase 0.0083 0.0742 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0083 0.0742 1
Brugia malayi nuclear hormone receptor 0.003 0.0059 0.0002
Loa Loa (eye worm) MH2 domain-containing protein 0.063 0.7703 1
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.1459 0.2252
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0059 0.0091
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0059 0.0091
Brugia malayi Isocitrate dehydrogenase 0.0083 0.0742 0.0895
Loa Loa (eye worm) hypothetical protein 0.0122 0.1229 0.1532
Echinococcus granulosus expressed conserved protein 0.0092 0.0849 0.1311
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0083 0.0742 0.1145
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0059 0.0002
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.019 0.2098 0.3239
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0059 0.0002
Echinococcus multilocularis X box binding protein 1 0.0286 0.3322 0.3345
Schistosoma mansoni smad 0.0043 0.0226 0.035
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0059 0.0002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0059 0.0091
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0059 0.0091
Echinococcus multilocularis tar DNA binding protein 0.0205 0.2295 0.231
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0057 0.0058
Loa Loa (eye worm) hypothetical protein 0.0231 0.262 0.3351
Schistosoma mansoni smad1 5 8 and 0.0043 0.0226 0.035
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Loa Loa (eye worm) hypothetical protein 0.0098 0.0925 0.1134
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0059 0.0091
Loa Loa (eye worm) hypothetical protein 0.0056 0.0394 0.044
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0059 0.0006
Echinococcus multilocularis protein dispatched 1 0.0048 0.0289 0.0291
Schistosoma mansoni thyroid hormone receptor 0.003 0.0059 0.0091
Echinococcus granulosus Smad4 0.0043 0.0226 0.035
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.262 0.2638
Loa Loa (eye worm) isocitrate dehydrogenase 0.0083 0.0742 0.0895
Schistosoma mansoni smad1 5 8 and 0.0043 0.0226 0.035
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0205 0.2295 0.2926
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0944 0.1457
Brugia malayi hypothetical protein 0.0036 0.0141 0.0109
Echinococcus granulosus geminin 0.0534 0.6477 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0248 0.025
Schistosoma mansoni hypothetical protein 0.019 0.2098 0.3239
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0083 0.0742 1
Echinococcus multilocularis protein patched 0.0042 0.0214 0.0215
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0059 0.0091
Loa Loa (eye worm) TAR-binding protein 0.0205 0.2295 0.2926
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2295 0.3543
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0248 0.025
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0059 0.0002
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0059 0.0059
Brugia malayi MH2 domain containing protein 0.063 0.7703 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0059 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0248 0.0384
Loa Loa (eye worm) hypothetical protein 0.0042 0.0214 0.0205
Entamoeba histolytica hypothetical protein 0.019 0.2098 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0057 0.0088
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.1459 0.1469
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0059 0.0002
Brugia malayi Smad1 0.0043 0.0226 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0059 0.0002
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.0226 0.0228
Brugia malayi hypothetical protein 0.019 0.2098 0.2669
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0059 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0248 0.025
Brugia malayi hypothetical protein 0.0122 0.1229 0.1532
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0214 0.0205
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.0226 0.0221
Schistosoma mansoni hypothetical protein 0.0286 0.3322 0.5129
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0279 0.0291
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0925 0.1134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0059 0.0002
Brugia malayi MH1 domain containing protein 0.0043 0.0226 0.0221
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0059 0.0091
Loa Loa (eye worm) transcription factor SMAD2 0.063 0.7703 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0057 0.0088
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0059 0.0091
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0059 0.0091
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.0226 0.035
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2295 0.3543
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0059 0.0002
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.0394 0.4918
Echinococcus granulosus FTZ F1 alpha 0.003 0.0059 0.0091
Entamoeba histolytica hypothetical protein 0.019 0.2098 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0083 0.0742 0.1145
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0059 0.0091
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0059 0.0059
Loa Loa (eye worm) Smad1 0.0043 0.0226 0.0221
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.0394 0.4918
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.0226 0.0221
Brugia malayi hypothetical protein 0.0056 0.0394 0.044
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0059 0.0002
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0059 0.0006
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0059 0.0059
Brugia malayi isocitrate dehydrogenase 0.0083 0.0742 0.0895
Echinococcus multilocularis isocitrate dehydrogenase 0.0083 0.0742 0.0747
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.262 0.4044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0057 0.0088
Schistosoma mansoni coup transcription factor 0.003 0.0059 0.0091
Brugia malayi hypothetical protein 0.0231 0.262 0.3351
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0059 0.0002
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0083 0.0742 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0059 0.0002
Schistosoma mansoni hypothetical protein 0.0534 0.6477 1
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.0301
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0059 0.0002
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0059 0.0091
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0083 0.0742 1
Onchocerca volvulus Huntingtin homolog 0.0122 0.1229 0.4476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0248 0.0384
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0083 0.0742 1
Echinococcus granulosus smad 0.0043 0.0226 0.035
Brugia malayi RNA binding protein 0.0205 0.2295 0.2926
Brugia malayi TAR-binding protein 0.0205 0.2295 0.2926
Echinococcus granulosus tar DNA binding protein 0.0205 0.2295 0.3543
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0059 0.0059
Schistosoma mansoni transcription factor LCR-F1 0.019 0.2098 0.3239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0059 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0059 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0059 0.0002
Echinococcus multilocularis Smad4 0.0043 0.0226 0.0228
Echinococcus granulosus X box binding protein 1 0.0286 0.3322 0.5129
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0059 0.0002
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0059 0.0059
Echinococcus multilocularis expressed conserved protein 0.0092 0.0849 0.0855
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0059 0.0091
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.0226 0.0228
Schistosoma mansoni thyroid hormone receptor 0.003 0.0059 0.0091
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0057 0.0088
Brugia malayi ecdysteroid receptor 0.003 0.0059 0.0002
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2311 0.2948
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0043 0.0067
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.0226 0.035
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0047 0.0279 0.0431
Brugia malayi nuclear receptor NHR-88 0.003 0.0059 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2295 0.3543
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0059 0.0091
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.081 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0083 0.0742 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Echinococcus multilocularis smad 0.0043 0.0226 0.0228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0248 0.025
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.9932 1
Brugia malayi CHE-14 protein 0.0042 0.0214 0.0205
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0925 0.0931
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0248 0.0384
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0059 0.0002
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0059 0.0002
Mycobacterium ulcerans proteasome PrcA 0.081 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0057 0.0088
Brugia malayi MH2 domain containing protein 0.0043 0.0226 0.0221
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0214 0.0215
Brugia malayi MH2 domain containing protein 0.0043 0.0226 0.0221
Brugia malayi Pre-SET motif family protein 0.0207 0.2311 0.2948
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.0301
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0083 0.0742 0.0747
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0002
Brugia malayi steroid hormone receptor 0.003 0.0059 0.0002
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.0301
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0083 0.0742 0.0747
Schistosoma mansoni nuclear hormone receptor 0.003 0.0059 0.0091
Onchocerca volvulus 0.0047 0.0279 0.0849
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0248 0.0384
Entamoeba histolytica hypothetical protein 0.019 0.2098 1
Echinococcus multilocularis geminin 0.0534 0.6477 0.6521
Trichomonas vaginalis set domain proteins, putative 0.0235 0.2675 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM Inhibition of human APE1 after 25 mins by fluorescence assay ChEMBL. 25280182
IC50 (functional) = 5.7 uM Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTT assay ChEMBL. 25699157
K app (binding) = 2200000 Apparent association constant (Kapp) for binding to purified calf thymus DNA ChEMBL. 7069701
T/C (functional) = 158 In vivo antitumor activity against P-388 lymphocytic leukemia in mice treated with a dose of 100 mg/kg ChEMBL. 6887199
T/C (functional) = 158 In vivo antitumor activity against NCI P-388 lymphocytic leukemia in mice at a dose of 100 mg/kg ChEMBL. 7069701

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25699157

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

91 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.