Detailed information for compound 1635652

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.407 | Formula: C18H15N5O5S
  • H donors: 4 H acceptors: 5 LogP: 2.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NS(=O)(=O)c1ccc(cc1)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O
  • InChi: 1S/C18H15N5O5S/c19-18(20)23-29(27,28)12-7-5-11(6-8-12)21-22-15-13-4-2-1-3-10(13)9-14(16(15)24)17(25)26/h1-9,24H,(H,25,26)(H4,19,20,23)/b22-21+
  • InChiKey: MUOFBLRJLQRVDM-QURGRASLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.2437 0.324
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0212 0.3592 0.3592
Brugia malayi nuclear hormone receptor 0.0402 0.7417 1
Brugia malayi jmjC domain containing protein 0.0037 0.005 0.0067
Brugia malayi Thioredoxin reductase 0.0099 0.1305 0.1759
Onchocerca volvulus Bile acid receptor homolog 0.0402 0.7417 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0402 0.7417 1
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.005 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0402 0.7417 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0402 0.7417 0.7417
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.3592 0.4808
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0226 0.3863 0.8837
Plasmodium falciparum thioredoxin reductase 0.0099 0.1305 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0034 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0402 0.7417 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.019 0.3133 0.4224
Brugia malayi steroid hormone receptor 0.0402 0.7417 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0803 0.1083
Schistosoma mansoni nuclear hormone receptor 0.019 0.3133 0.3133
Echinococcus granulosus nuclear receptor 2DBD gamma 0.019 0.3133 0.4224
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0402 0.7417 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0402 0.7417 1
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0161 0.0217
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.019 0.3133 0.4224
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0573 0.0711
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0402 0.7417 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.019 0.3133 0.4224
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0034 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.005 0.0067
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0034 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0402 0.7417 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.184 0.243
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0402 0.7417 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0402 0.7417 1
Plasmodium falciparum glutathione reductase 0.0099 0.1305 1
Entamoeba histolytica hypothetical protein 0.0074 0.0803 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0402 0.7417 0.7417
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0251 0.4371 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0402 0.7417 1
Schistosoma mansoni retinoic acid receptor RXR 0.0402 0.7417 0.7417
Treponema pallidum NADH oxidase 0.0034 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0402 0.7417 1
Schistosoma mansoni nuclear receptor nhr-48 0.019 0.3133 0.3133
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0298 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1447 0.1896
Echinococcus granulosus thyroid hormone receptor alpha 0.019 0.3133 0.4224
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0212 0.3592 0.4843
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0402 0.7417 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.019 0.3133 0.4185
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0402 0.7417 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0402 0.7417 0.7417
Schistosoma mansoni thyroid hormone receptor 0.0402 0.7417 0.7417
Giardia lamblia NADH oxidase lateral transfer candidate 0.0034 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0212 0.3592 0.4808
Brugia malayi Nuclear hormone receptor-like 1 0.0212 0.3592 0.4843
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.3592 0.4808
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0226 0.3863 0.8837
Echinococcus granulosus Nuclear hormone receptor HR96 0.019 0.3133 0.4224
Echinococcus multilocularis thyroid hormone receptor alpha 0.0402 0.7417 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0402 0.7417 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0298 0.0402
Schistosoma mansoni zinc finger protein 0.019 0.3133 0.3133
Entamoeba histolytica hypothetical protein 0.0074 0.0803 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0161 0.0217
Brugia malayi nuclear receptor NHR-88 0.0402 0.7417 1
Schistosoma mansoni RAR-like nuclear receptor 0.0402 0.7417 0.7417
Loa Loa (eye worm) hypothetical protein 0.0212 0.3592 0.4808
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0402 0.7417 1
Brugia malayi conserved hypotetical protein 0.019 0.3133 0.4224
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.184 0.243
Brugia malayi MH2 domain containing protein 0.0125 0.184 0.2481
Echinococcus multilocularis ecdysone induced protein 78C 0.0402 0.7417 1
Plasmodium vivax thioredoxin reductase, putative 0.0099 0.1305 1
Brugia malayi hypothetical protein 0.0212 0.3592 0.4843
Echinococcus multilocularis thioredoxin glutathione reductase 0.0099 0.1305 0.1759
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Brugia malayi hypothetical protein 0.019 0.3133 0.4224
Brugia malayi nuclear receptor NHR-88 0.019 0.3133 0.4224
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Trichomonas vaginalis mercuric reductase, putative 0.0034 0 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0226 0.3863 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0099 0.1305 0.1759
Echinococcus multilocularis nuclear receptor nhr 48 0.019 0.3133 0.4224
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0402 0.7417 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0298 0.0337
Plasmodium vivax glutathione reductase, putative 0.0099 0.1305 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.2437 0.324
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0212 0.3592 0.4808
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0212 0.3592 0.4843
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0402 0.7417 1
Brugia malayi Nuclear hormone receptor E75 0.019 0.3133 0.4224
Schistosoma mansoni thyroid hormone receptor 0.0402 0.7417 0.7417
Brugia malayi nuclear hormone receptor family member nhr-6 0.019 0.3133 0.4224
Mycobacterium tuberculosis Probable reductase 0.0226 0.3863 0.8837
Brugia malayi nuclear receptor NHR-67 0.019 0.3133 0.4224
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0298 0.0402
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0251 0.4371 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.3592 0.4808
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0402 0.7417 0.7417
Schistosoma mansoni hypothetical protein 0.0049 0.0298 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0402 0.7417 1
Trichomonas vaginalis glutathione reductase, putative 0.0034 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0402 0.7417 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.2437 0.3285
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Echinococcus granulosus GPCR family 2 0.0049 0.0298 0.0402
Schistosoma mansoni hypothetical protein 0.0049 0.0298 0.0298
Mycobacterium tuberculosis Probable oxidoreductase 0.0251 0.4371 1
Trypanosoma brucei trypanothione reductase 0.0099 0.1305 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.019 0.3133 0.4185
Brugia malayi Steroid receptor seven-up type 2 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0402 0.7417 1
Leishmania major trypanothione reductase 0.0099 0.1305 1
Schistosoma mansoni hypothetical protein 0.0049 0.0298 0.0298
Echinococcus granulosus FTZ F1 alpha 0.0402 0.7417 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0402 0.7417 1
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0298 0.0402
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.2437 0.3285
Loa Loa (eye worm) thioredoxin reductase 0.0099 0.1305 0.1704
Echinococcus multilocularis GPCR, family 2 0.0049 0.0298 0.0402
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0099 0.1305 0.2985
Brugia malayi Nuclear hormone receptor-like 1 0.0212 0.3592 0.4843
Loa Loa (eye worm) nuclear hormone receptor 0.019 0.3133 0.4185
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0402 0.7417 1
Brugia malayi nuclear hormone receptor family member odr-7 0.019 0.3133 0.4224
Brugia malayi hypothetical protein 0.019 0.3133 0.4224
Brugia malayi tailless protein 0.019 0.3133 0.4224
Schistosoma mansoni nuclear hormone receptor 0.019 0.3133 0.3133
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0402 0.7417 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.019 0.3133 0.3133
Brugia malayi hypothetical protein 0.0212 0.3592 0.4843
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0402 0.7417 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0226 0.3863 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.0226 0.3863 0.8837
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0034 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0298 0.0402
Schistosoma mansoni coup transcription factor 0.0402 0.7417 0.7417
Brugia malayi nuclear receptor RXR 0.019 0.3133 0.4224
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Brugia malayi jmjC domain containing protein 0.0099 0.1315 0.1773
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0402 0.7417 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Loa Loa (eye worm) steroid hormone receptor 0.0402 0.7417 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Brugia malayi glutathione reductase 0.0099 0.1305 0.1759
Brugia malayi photoreceptor-specific nuclear receptor 0.0402 0.7417 1
Schistosoma mansoni hypothetical protein 0.0106 0.1447 0.1447
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0902 0.0902
Toxoplasma gondii thioredoxin reductase 0.0099 0.1305 1
Schistosoma mansoni nuclear receptor 0.019 0.3133 0.3133
Schistosoma mansoni nuclear hormone receptor 0.0402 0.7417 0.7417
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0402 0.7417 1
Brugia malayi ecdysteroid receptor 0.0402 0.7417 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.019 0.3133 0.4224
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0212 0.3592 0.3592
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.1315 0.1773
Entamoeba histolytica hypothetical protein 0.0074 0.0803 0.5
Brugia malayi hypothetical protein 0.0074 0.0803 0.1083
Trypanosoma cruzi trypanothione reductase, putative 0.0099 0.1305 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0359 0.0419
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0402 0.7417 0.7417
Loa Loa (eye worm) glutathione reductase 0.0099 0.1305 0.1704
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0803 0.0803
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.019 0.3133 0.4224
Entamoeba histolytica hypothetical protein 0.0074 0.0803 0.5
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Brugia malayi nuclear receptor RXR 0.0212 0.3592 0.4843
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0402 0.7417 1
Onchocerca volvulus 0.0402 0.7417 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.005 0.005
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0251 0.4371 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0402 0.7417 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.019 0.3133 0.4224
Brugia malayi orphan nuclear receptor NR2E1 0.019 0.3133 0.4224
Brugia malayi Nuclear hormone receptor E75 0.019 0.3133 0.4224
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0298 0.0402
Echinococcus granulosus nuclear receptor nhr 48 0.019 0.3133 0.4224
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.1315 0.1773
Echinococcus multilocularis Nuclear hormone receptor HR96 0.019 0.3133 0.4224
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0298 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Loa Loa (eye worm) DR-78 0.019 0.3133 0.4185
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0402 0.7417 0.7417
Schistosoma mansoni hypothetical protein 0.0074 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Brugia malayi nuclear hormone receptor 0.019 0.3133 0.4224
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.1447 0.1951
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0402 0.7417 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0402 0.7417 0.7417
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Loa Loa (eye worm) hypothetical protein 0.0049 0.0298 0.0337
Loa Loa (eye worm) hypothetical protein 0.0402 0.7417 1
Brugia malayi ecdysone receptor 0.019 0.3133 0.4224
Echinococcus granulosus Nuclear hormone receptor HR96 0.019 0.3133 0.4224
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0803 0.1083
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0402 0.7417 1
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185
Schistosoma mansoni nuclear receptor 0.019 0.3133 0.3133
Loa Loa (eye worm) hypothetical protein 0.019 0.3133 0.4185

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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