Detailed information for compound 1009443

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.364 | Formula: C15H15N3OS
  • H donors: 3 H acceptors: 1 LogP: 3.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccc(cc1)C)N/N=C/c1ccc(cc1)O
  • InChi: 1S/C15H15N3OS/c1-11-2-6-13(7-3-11)17-15(20)18-16-10-12-4-8-14(19)9-5-12/h2-10,19H,1H3,(H2,17,18,20)/b16-10+
  • InChiKey: ZFTGSQDGEHIOBY-MHWRWJLKSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ribonucleotide reductase M1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium yoelii ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Neospora caninum ribonucleoside-diphosphate reductase, large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma brucei gambiense ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Babesia bovis ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma congolense ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) Get druggable targets OG5_126839 All targets in OG5_126839
Echinococcus multilocularis ribonucleoside diphosphate reductase large Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium berghei ribonucleoside-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma congolense ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania mexicana ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania donovani ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania major ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Cryptosporidium parvum ribonucleotide-diphosphate reductase large chain; RIR1; c-terminal PFL-like glycyl radical enzymes-like fold Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Candida albicans one of two likely ribonucleotide reductase large subunit genes similar to S. cerevisiae RNR1 (YER070W) and RNR3 (YIL066C) Get druggable targets OG5_126839 All targets in OG5_126839
Cryptosporidium hominis ribonucleoside-diphosphate reductase large chain (ribonucleotide reductase R1 subunit) Get druggable targets OG5_126839 All targets in OG5_126839
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania braziliensis ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Leishmania infantum ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative Get druggable targets OG5_126839 All targets in OG5_126839
Plasmodium knowlesi ribonucleoside-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit Get druggable targets OG5_126839 All targets in OG5_126839
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha Get druggable targets OG5_126839 All targets in OG5_126839
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) Get druggable targets OG5_126839 All targets in OG5_126839
Echinococcus granulosus ribonucleoside diphosphate reductase large Get druggable targets OG5_126839 All targets in OG5_126839
Schistosoma japonicum ko:K00525 ribonucleoside-diphosphate reductase alpha chain [EC1.17.4.1A], putative Get druggable targets OG5_126839 All targets in OG5_126839
Theileria parva ribonucleotide-diphosphate reductase large subunit, putative Get druggable targets OG5_126839 All targets in OG5_126839
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) Get druggable targets OG5_126839 All targets in OG5_126839

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 granulosus endonuclease exonuclease phosphatase 0.0188 0.6188 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.1209 0.1244
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0121 0.3846 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.076 0.1228
Brugia malayi mbt repeat family protein 0.0047 0.1209 0.1422
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0121 0.3846 0.3959
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1182 0.1301
Echinococcus multilocularis chromobox protein 1 0.0076 0.225 0.3635
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.1437 0.2322
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.1437 0.2322
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0194 0.6408 0.7537
Toxoplasma gondii hypothetical protein 0.0048 0.1244 0.3234
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1182 0.1301
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0206 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0206 0.0242
Echinococcus granulosus chromobox protein 1 0.0076 0.225 0.3635
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1434 0.1254
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.076 0.0783
Loa Loa (eye worm) hypothetical protein 0.0194 0.6408 0.7537
Loa Loa (eye worm) hypothetical protein 0.0047 0.1209 0.1422
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.1028 0.0839
Toxoplasma gondii exonuclease III APE 0.0018 0.0206 0.0535
Loa Loa (eye worm) hypothetical protein 0.0043 0.1068 0.1256
Loa Loa (eye worm) hypothetical protein 0.0053 0.1437 0.169
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2791 0.451
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0121 0.3846 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0206 0.0226
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.1434 0.3728
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0206 0.0535
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.076 0.1976
Onchocerca volvulus 0.0046 0.12 0.1321
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0019 0.0232 0.0054
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.3634 0.4275
Brugia malayi chromobox protein homolog 3 0.0043 0.1068 0.1256
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1434 0.3728
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0102 0.3174 0.6116
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1209 0.1244
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.622 0.6847
Plasmodium vivax SET domain protein, putative 0.0034 0.076 0.1976
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2791 0.2873
Schistosoma mansoni ap endonuclease 0.0018 0.0206 0.0212
Brugia malayi N-terminal motif family protein 0.0174 0.5721 0.6729
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.1209 0.1953
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.1209 0.133
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0253 0.8502 1
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1904 0.196
Schistosoma mansoni chromobox protein 0.0076 0.225 0.2316
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2791 0.451
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0206 0.0242
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0121 0.3846 0.3717
Brugia malayi hypothetical protein 0.0053 0.1434 0.1686
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0627 0.0691
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.1182 0.1301
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.04 0.0647
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.1904 0.4951
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0102 0.3174 0.6116
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.1437 0.2322
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.1209 0.1953
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1349 0.1167
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0206 0.0226
Echinococcus granulosus Chromobox protein 3 0.0012 0.00000005028 0.000000081254
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.3634 0.4275
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.1437 0.1479
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.1437 0.2322
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.1209 0.1422
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.04 0.0647
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.1904 0.3077
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0627 0.0691
Loa Loa (eye worm) hypothetical protein 0.0034 0.076 0.0894
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.1904 0.3499
Schistosoma mansoni chromobox protein 0.0076 0.225 0.2316
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0206 0.0332
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0046 0.12 0.1236
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0121 0.3846 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1068 0.1175
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.2791 0.3283
Loa Loa (eye worm) hypothetical protein 0.0033 0.0742 0.0873
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.6188 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.076 0.1228
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.1904 0.1734
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.1434 0.1254
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.076 0.0783
Echinococcus multilocularis Chromobox protein 3 0.0012 0.00000005028 0.000000081254
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0121 0.3846 0.4524
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.1209 0.1953
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0037 0.0859 0.1346
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1068 0.1175
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0121 0.3846 0.6215
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1434 0.1254
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.1068 0.1175
Brugia malayi mbt repeat family protein 0.0047 0.1209 0.1422
Loa Loa (eye worm) hypothetical protein 0.0053 0.1434 0.1686
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0102 0.3174 0.3493
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.1904 0.3077
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.4501 0.4385
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2791 0.2873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2791 0.451
Mycobacterium ulcerans hypothetical protein 0.0156 0.5059 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0206 0.0332
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1904 0.3499
Brugia malayi MH2 domain containing protein 0.0115 0.3634 0.4275
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1904 0.196
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0102 0.3174 1
Mycobacterium ulcerans transcriptional regulator NrdR 0.0019 0.0232 0.0054
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.4501 0.4385
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.4501 0.4385
Echinococcus granulosus chromobox protein 1 0.0076 0.225 0.3635
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0206 0.0535
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 1 1
Schistosoma mansoni ap endonuclease 0.0018 0.0206 0.0212
Schistosoma mansoni hypothetical protein 0.0024 0.04 0.0412
Onchocerca volvulus 0.0033 0.0742 0.0817
Brugia malayi Pre-SET motif family protein 0.0034 0.076 0.0894
Trichomonas vaginalis set domain proteins, putative 0.027 0.9085 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1904 0.3499
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.225 0.2646
Echinococcus multilocularis chromobox protein 1 0.0076 0.225 0.3635
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.076 0.0783
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1904 0.3499
Onchocerca volvulus 0.0047 0.1209 0.133
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.2791 0.3283
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0121 0.3846 0.6215
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.1028 0.0839
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.076 0.1228
Leishmania major hypothetical protein, conserved 0.0053 0.1434 0.1254
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2791 0.2873
Brugia malayi hypothetical protein 0.0034 0.0769 0.0905
Loa Loa (eye worm) MBCTL1 0.0053 0.1437 0.169
Brugia malayi SET domain containing protein 0.0014 0.0044 0.0052
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.5059 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.5721 0.6729
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0031 0.0668 0.0473
Brugia malayi Pre-SET motif family protein 0.0237 0.7929 0.9326
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0121 0.3846 0.3717
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.1209 0.1953
Trichomonas vaginalis chromobox protein, putative 0.0076 0.225 0.2476
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0121 0.3846 0.3717
Onchocerca volvulus 0.027 0.9085 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2791 0.451
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.1434 0.3728
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 1 1
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0121 0.3846 1
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0121 0.3846 0.4524
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.1437 0.169
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0102 0.3174 1
Onchocerca volvulus 0.0012 0.00000005028 0.000000055344
Trichomonas vaginalis chromobox protein, putative 0.0076 0.225 0.2476
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0121 0.3846 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1434 0.3728
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0206 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.1028 0.0839
Brugia malayi follicle stimulating hormone receptor 0.0253 0.8502 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 1 1
Brugia malayi Heterochromatin protein 1 0.0076 0.225 0.2646
Schistosoma mansoni hypothetical protein 0.0287 0.9714 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0174 0.5721 0.6297
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0716 0.1157
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.1028 0.0839
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1209 0.1244
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.7929 0.9326

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.848 Inhibition of N-terminal 6xHis-tagged Homo sapiens (human) recombinant ribonucleotide reductase M2/M1 expressed in Escherichia coli BL21 (DE3) using [3H]CDP as substrate after 30 min 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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