Detailed information for compound 1063254

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.834 | Formula: C19H21ClN2O4
  • H donors: 0 H acceptors: 1 LogP: 4.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1cncn1c1cc(OC)c(c(c1)OC)OC.Cl
  • InChi: 1S/C19H20N2O4.ClH/c1-22-15-7-5-13(6-8-15)16-11-20-12-21(16)14-9-17(23-2)19(25-4)18(10-14)24-3;/h5-12H,1-4H3;1H
  • InChiKey: DOXSIFGRKCTSIX-UHFFFAOYSA-N  

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
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0587 0.1317 0.3439
Loa Loa (eye worm) hypothetical protein 0.0125 0.0224 0.0352
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.018 0.113
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0149 0.0279 0.347
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0587 0.1317 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0014
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0128 0.0229 0.0229
Mycobacterium tuberculosis Conserved hypothetical protein 0.0103 0.0171 0.1074
Loa Loa (eye worm) hypothetical protein 0.0231 0.0474 0.0745
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0212 0.0429 0.1036
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0095 0.0134
Treponema pallidum exodeoxyribonuclease (exoA) 0.0056 0.0059 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.002 0.0028
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0822 0.1874 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0212 0.0429 0.1038
Trypanosoma cruzi target of rapamycin kinase 3 0.034 0.0732 0.1836
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0108 0.0182 0.0255
Brugia malayi CHE-14 protein 0.0125 0.0224 0.0586
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0103 0.0171 0.0171
Trichomonas vaginalis esterase, putative 0.0108 0.0182 0.0461
Plasmodium falciparum glutathione reductase 0.0047 0.0038 0.0531
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0292 0.0619 0.1539
Brugia malayi beta-lactamase family protein 0.0108 0.0182 0.0476
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.0208 0.1312
Loa Loa (eye worm) MBCTL1 0.0054 0.0056 0.0087
Trichomonas vaginalis penicillin-binding protein, putative 0.0108 0.0182 0.0461
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.004 0.0056
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0056 0.0059 0.0162
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1643 0.3819 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Loa Loa (eye worm) phosphatidylinositol kinase 0.0103 0.0171 0.0269
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0103 0.0171 0.0354
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Schistosoma mansoni hypothetical protein 0.0128 0.0229 0.0322
Brugia malayi dihydrofolate reductase family protein 0.0043 0.0029 0.0075
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0149 0.0279 0.4986
Schistosoma mansoni hypothetical protein 0.0302 0.0642 0.09
Schistosoma mansoni hypothetical protein 0.0186 0.0367 0.0514
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.034 0.0732 0.0732
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0032 0.0085
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0095 0.0095
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0108 0.0182 0.1142
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0066 0.0079
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1643 0.3819 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0059 0.0915
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0059 0.0137
Brugia malayi Thioredoxin reductase 0.0047 0.0038 0.0099
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0043 0.0029 0.0155
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0125 0.0224 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0056 0.0056
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0587 0.1317 0.3386
Schistosoma mansoni hypothetical protein 0.0121 0.0213 0.0299
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0587 0.1317 0.3439
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0066 0.0393
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0108 0.0182 0.0476
Loa Loa (eye worm) hypothetical protein 0.0047 0.0037 0.0058
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Mycobacterium tuberculosis Conserved protein 0.0108 0.0182 0.1142
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0263 0.055 0.7376
Loa Loa (eye worm) hypothetical protein 0.0108 0.0182 0.0286
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0056 0.0059 0.0092
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0263 0.055 0.1356
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0032 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0587 0.1317 0.3386
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0103 0.0171 0.0433
Leishmania major phosphatidylinositol 3-related kinase, putative 0.034 0.0732 0.192
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0159 0.0415
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0263 0.055 0.055
Giardia lamblia Phosphatidylinositol 4-kinase 0.0103 0.0171 0.0622
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.034 0.0732 0.1027
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0103 0.0171 0.0354
Loa Loa (eye worm) phosphatidylinositol 3 0.034 0.0732 0.1151
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0037 0.0943
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0103 0.0171 0.0354
Loa Loa (eye worm) hypothetical protein 0.0432 0.095 0.1493
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0149 0.0279 0.1883
Onchocerca volvulus 0.0148 0.0276 0.2514
Loa Loa (eye worm) hypothetical protein 0.1084 0.2494 0.3921
Brugia malayi hypothetical protein 0.0448 0.0989 0.2589
Echinococcus multilocularis protein dispatched 1 0.0143 0.0266 0.0266
Leishmania major phosphatidylinositol kinase related protein, putative 0.0103 0.0171 0.0372
Mycobacterium tuberculosis Conserved protein 0.0108 0.0182 0.1142
Trichomonas vaginalis D-aminoacylase, putative 0.0108 0.0182 0.0461
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0056 0.0078
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0056 0.0059 0.5
Echinococcus granulosus expressed conserved protein 0.0275 0.0577 0.0577
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0032 0.0032
Leishmania major trypanothione reductase 0.0047 0.0038 0.0002
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0056 0.0059 0.1673
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.034 0.0732 0.5425
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.004 0.004
Onchocerca volvulus 0.0103 0.0171 0.1413
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0212 0.0429 0.1124
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0103 0.0171 0.1925
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0108 0.0182 0.0286
Loa Loa (eye worm) hypothetical protein 0.0108 0.0182 0.0286
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0106 0.0177 0.8236
Trichomonas vaginalis penicillin-binding protein, putative 0.0108 0.0182 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0171 0.0433
Loa Loa (eye worm) hypothetical protein 0.0047 0.0037 0.0058
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0103 0.0171 0.3003
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Echinococcus granulosus dihydrofolate reductase 0.0043 0.0029 0.0029
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0212 0.0429 0.1036
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0014
Echinococcus multilocularis sterol regulatory element binding protein 0.0125 0.0224 0.0224
Leishmania major phosphatidylinositol kinase, putative 0.0103 0.0171 0.0372
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0587 0.1317 0.3439
Onchocerca volvulus 0.0108 0.0182 0.1524
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Loa Loa (eye worm) hypothetical protein 0.0212 0.0429 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0184 0.0468
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0032 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Entamoeba histolytica hypothetical protein 0.0103 0.0171 0.0356
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.0177 0.1108
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0263 0.055 0.1417
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0014
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0032 0.0051
Echinococcus granulosus beta LACTamase domain containing family member 0.0108 0.0182 0.0182
Brugia malayi thymidylate synthase 0.0106 0.0177 0.0463
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1643 0.3819 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0085 0.0223
Brugia malayi mbt repeat family protein 0.0048 0.004 0.0104
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.3041 0.7129 0.7129
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0038 0.0038
Mycobacterium ulcerans beta-lactamase 0.0108 0.0182 0.5846
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0037 0.0097
Schistosoma mansoni ap endonuclease 0.0056 0.0059 0.0082
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0056 0.0059 0.0057
Chlamydia trachomatis dihydrofolate reductase 0.0043 0.0029 1
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0038 0.0059
Echinococcus granulosus thymidylate synthase 0.0106 0.0177 0.0177
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0427 0.0939 0.485
Trichomonas vaginalis conserved hypothetical protein 0.0231 0.0474 0.1227
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.004 0.004
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1084 0.2494 0.6532
Echinococcus multilocularis beta LACTamase domain containing family member 0.0108 0.0182 0.0182
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0263 0.055 0.0864
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0108 0.0182 0.0255
Echinococcus granulosus geminin 0.0186 0.0367 0.0367
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0037 0.0465
Entamoeba histolytica hypothetical protein 0.0071 0.0095 0.0155
Entamoeba histolytica hypothetical protein 0.0212 0.0429 0.1038
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.3041 0.7129 0.7129
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0263 0.055 0.055
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0231 0.0474 0.6285
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.034 0.0732 0.1917
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.018 0.8427
Echinococcus granulosus Protein patched homolog 1 0.0125 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0103 0.0171 0.0269
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Onchocerca volvulus 0.0448 0.0989 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0263 0.055 0.4001
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0149 0.0279 0.0668
Giardia lamblia GTOR 0.034 0.0732 0.3709
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0149 0.0279 0.4986
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1084 0.2494 0.2494
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.018 0.113
Echinococcus granulosus sterol regulatory element binding protein 0.0125 0.0224 0.0224
Trichomonas vaginalis PIKK family atypical protein kinase 0.0231 0.0474 0.1227
Echinococcus granulosus Niemann Pick C1 protein 0.0292 0.0619 0.0619
Trypanosoma brucei hypothetical protein, conserved 0.0108 0.0182 0.1127
Onchocerca volvulus 0.0106 0.0177 0.1468
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0229 0.0585
Mycobacterium ulcerans lipase LipD 0.0108 0.0182 0.5846
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0037 0.0943
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0103 0.0171 0.1045
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0212 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0108 0.0182 0.0286
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0066 0.0066
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0103 0.0171 0.3003
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1146 0.2641 0.6913
Echinococcus multilocularis expressed conserved protein 0.0275 0.0577 0.0577
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0056 0.0059 0.0059
Leishmania major phosphatidylinositol 4-kinase, putative 0.0103 0.0171 0.0372
Brugia malayi glutathione reductase 0.0047 0.0038 0.0099
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0037 0.0943
Mycobacterium tuberculosis Probable reductase 0.0107 0.018 0.113
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4253 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.0208 1
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0103 0.0171 0.1045
Mycobacterium ulcerans hypothetical protein 0.0108 0.0182 0.5846
Loa Loa (eye worm) hypothetical protein 0.0109 0.0184 0.029
Schistosoma mansoni hypothetical protein 0.0067 0.0085 0.0119
Loa Loa (eye worm) phosphatidylinositol 3 0.034 0.0732 0.1151
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0587 0.1317 0.3385
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0263 0.055 0.1426
Echinococcus multilocularis Zinc finger, PHD finger 0.0263 0.055 0.055
Trypanosoma cruzi hypothetical protein, conserved 0.1471 0.3411 0.8922
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0066 0.0092
Mycobacterium tuberculosis Hypothetical protein 0.005 0.0046 0.0264
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0032 0.0032
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0037 0.0943
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1084 0.2494 0.2494
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Mycobacterium tuberculosis Probable esterase LipL 0.0108 0.0182 0.1142
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0263 0.055 1
Loa Loa (eye worm) beta-lactamase 0.0108 0.0182 0.0286
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0231 0.0474 0.3409
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.004 0.0056
Mycobacterium ulcerans thymidylate synthase 0.0106 0.0177 0.5668
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0587 0.1317 0.345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Echinococcus multilocularis Protein lozenge 0.0056 0.006 0.006
Brugia malayi sulfakinin receptor protein 0.0432 0.095 0.2488
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0103 0.0171 0.0356
Leishmania major hypothetical protein, unknown function 0.0103 0.0171 0.0372
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0012 0.0019
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0103 0.0171 0.0449
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.02 0.0399 0.0399
Leishmania major hypothetical protein, conserved 0.1574 0.3656 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0263 0.055 0.055
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0263 0.055 0.1426
Echinococcus granulosus Niemann Pick C1 protein 0.0418 0.0916 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.034 0.0732 0.1838
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0014
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.034 0.0732 0.192
Mycobacterium ulcerans epoxide hydrolase EphA 0.016 0.0305 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0095 0.0095
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0009 0.0029
Loa Loa (eye worm) hypothetical protein 0.0067 0.0085 0.0134
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0037 0.0465
Mycobacterium tuberculosis Probable hydrolase 0.0108 0.0182 0.1142
Loa Loa (eye worm) hypothetical protein 0.0108 0.0182 0.0286
Entamoeba histolytica hypothetical protein 0.0103 0.0171 0.0356
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.004 0.0063
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1319 0.3051 0.797
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1643 0.3819 1
Mycobacterium leprae Probable lipase LipE 0.0108 0.0182 0.8529
Schistosoma mansoni hypothetical protein 0.0071 0.0095 0.0134
Toxoplasma gondii exonuclease III APE 0.0056 0.0059 0.0299
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0103 0.0171 0.3003
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0103 0.0171 0.0354
Schistosoma mansoni ap endonuclease 0.0056 0.0059 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0108 0.0182 0.0286
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.016 0.0305 0.1933
Entamoeba histolytica hypothetical protein 0.0071 0.0095 0.0155
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0263 0.055 0.7376
Echinococcus multilocularis dihydrofolate reductase 0.0043 0.0029 0.0029
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0043 0.0029 0.066
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0263 0.055 0.144
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0212 0.0429 0.306
Schistosoma mansoni dihydrofolate reductase 0.0043 0.0029 0.004
Loa Loa (eye worm) phosphatidylinositol 3 0.0103 0.0171 0.0269
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1643 0.3819 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0046 0.0021
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0038 0.0038
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0689 0.1558 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0066 0.04
Schistosoma mansoni hypothetical protein 0.0121 0.0213 0.0299
Entamoeba histolytica hypothetical protein 0.1319 0.3051 0.797
Brugia malayi beta-lactamase family protein 0.0108 0.0182 0.0476
Loa Loa (eye worm) hypothetical protein 0.0128 0.0229 0.036
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0038 0.0531
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.034 0.0732 0.1027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0159 0.0415
Mycobacterium tuberculosis Probable lipase LipD 0.0108 0.0182 0.1142
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0038 0.0214
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.018 0.113
Loa Loa (eye worm) hypothetical protein 0.0054 0.0056 0.0087
Brugia malayi hypothetical protein 0.005 0.0046 0.0119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0171 0.0433
Mycobacterium ulcerans esterase/lipase LipP 0.0108 0.0182 0.5846
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0037 0.0097
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.002 0.0028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0066 0.191
Leishmania major phosphatidylinositol 3-kinase, putative 0.034 0.0732 0.192
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0109 0.0184 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.0224 0.057
Trichomonas vaginalis D-aminoacylase, putative 0.0108 0.0182 0.0461
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0103 0.0171 0.3003
Schistosoma mansoni fkbp-rapamycin associated protein 0.0212 0.0429 0.0602
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0103 0.0171 0.0171
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0012 0.0031
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0103 0.0171 0.1925
Loa Loa (eye worm) glutathione reductase 0.0047 0.0038 0.0059
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0103 0.0171 0.0449
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.034 0.0732 0.0732
Brugia malayi hypothetical protein 0.0148 0.0276 0.0723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0032 0.0032
Brugia malayi FAT domain containing protein 0.0128 0.0229 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Echinococcus multilocularis protein patched 0.0125 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0048 0.004 0.0063
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1643 0.3819 1
Brugia malayi Dihydrofolate reductase 0.0043 0.0029 0.0075
Toxoplasma gondii FATC domain-containing protein 0.0212 0.0429 0.5641
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0103 0.0171 0.1045
Loa Loa (eye worm) phosphatidylinositol 3 0.0103 0.0171 0.0269
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.034 0.0732 0.5425
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.004 0.003
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0066 0.0066
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0159 0.0249
Schistosoma mansoni hypothetical protein 0.0186 0.0367 0.0514
Echinococcus multilocularis Niemann Pick C1 protein 0.0418 0.0916 0.0916
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0212 0.0429 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Trypanosoma cruzi hypothetical protein, conserved 0.0108 0.0182 0.0381
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0263 0.055 0.1356
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0056 0.0056
Mycobacterium ulcerans hypothetical protein 0.0047 0.0037 0.0943
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0014
Onchocerca volvulus 0.0103 0.0171 0.1413
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.3224 0.7562 0.7562
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.0177 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.034 0.0732 0.1836
Plasmodium vivax hypothetical protein 0.0103 0.0171 0.3003
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0037 0.0209
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1643 0.3819 1
Mycobacterium leprae conserved hypothetical protein 0.0103 0.0171 0.7942
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Toxoplasma gondii ABC1 family protein 0.0108 0.0182 0.2077
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0263 0.055 0.1354
Schistosoma mansoni lozenge 0.0056 0.006 0.0084
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0103 0.0171 0.024
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0103 0.0171 0.3003
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0012 0.0012
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0103 0.0171 0.0171
Mycobacterium tuberculosis Probable lipase LipE 0.0108 0.0182 0.1142
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0037 0.0209
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0037 0.0097
Echinococcus granulosus endonuclease exonuclease phosphatase 0.02 0.0399 0.0399
Plasmodium vivax hypothetical protein, conserved 0.0103 0.0171 0.3003
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0103 0.0171 0.0433
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.034 0.0732 0.0732
Brugia malayi exodeoxyribonuclease III family protein 0.0056 0.0059 0.0153
Onchocerca volvulus 0.0048 0.004 0.003
Loa Loa (eye worm) phosphatidylinositol 3 0.0484 0.1073 0.1686
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0103 0.0171 0.0171
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0012 0.0012
Loa Loa (eye worm) thymidylate synthase 0.0106 0.0177 0.0278
Mycobacterium leprae conserved hypothetical protein 0.0108 0.0182 0.8529
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.034 0.0732 0.192
Plasmodium vivax hypothetical protein, conserved 0.0108 0.0182 0.3198
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.034 0.0732 0.5425
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0103 0.0171 0.0171
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.0208 0.1312
Loa Loa (eye worm) hypothetical protein 0.0292 0.0619 0.0973
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0103 0.0171 0.1925
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0037 0.0943
Loa Loa (eye worm) runx1 0.0056 0.006 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Echinococcus multilocularis 0.0103 0.0171 0.0171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0032 0.0045
Loa Loa (eye worm) phosphatidylinositol 3 0.0103 0.0171 0.0269
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0056 0.0059 0.0347
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0066 0.191
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0263 0.055 0.1354
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0103 0.0171 0.0449
Plasmodium vivax glutathione reductase, putative 0.0047 0.0038 0.0531
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0046 0.0103
Loa Loa (eye worm) phosphatidylinositol 3 0.2717 0.6361 1
Brugia malayi mbt repeat family protein 0.0048 0.004 0.0104
Leishmania major phosphatidylinositol 3-kinase, putative 0.0263 0.055 0.1417
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0263 0.055 0.0771
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1398 0.3237 0.8477
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.004 0.004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Echinococcus granulosus serine protein kinase ATM 0.0212 0.0429 0.0429
Brugia malayi beta-lactamase 0.0108 0.0182 0.0476
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0066 0.191
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0128 0.0229 0.0229
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0037 0.0943
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0212 0.0429 0.0429
Brugia malayi Niemann-Pick C1 protein precursor 0.0292 0.0619 0.1621
Giardia lamblia Hypothetical protein 0.0103 0.0171 0.0622
Echinococcus multilocularis serine protein kinase ATM 0.0212 0.0429 0.0429
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.004 0.004
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0103 0.0171 0.0354
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.034 0.0732 0.5425
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.076 0.1727 0.4469
Loa Loa (eye worm) hypothetical protein 0.0448 0.0989 0.1554
Plasmodium falciparum thioredoxin reductase 0.0047 0.0038 0.0531
Entamoeba histolytica hypothetical protein 0.0071 0.0095 0.0155
Entamoeba histolytica hypothetical protein 0.0071 0.0095 0.0155
Schistosoma mansoni hypothetical protein 0.0121 0.0213 0.0299
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0056 0.0059 0.0055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.0429 0.111
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.034 0.0732 0.1838
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1146 0.2641 0.6913
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0149 0.0279 0.0637
Loa Loa (eye worm) dihydrofolate reductase 0.0043 0.0029 0.0045
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.034 0.0732 0.192
Trypanosoma cruzi hypothetical protein, conserved 0.0108 0.0182 0.0381
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0263 0.055 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0037 0.0943
Schistosoma mansoni patched 1 0.0125 0.0224 0.0314
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0108 0.0182 0.1142
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.018 0.113
Loa Loa (eye worm) hypothetical protein 0.0047 0.0037 0.0058
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.034 0.0732 0.1836
Loa Loa (eye worm) hypothetical protein 0.0448 0.0989 0.1554
Loa Loa (eye worm) hypothetical protein 0.0098 0.0159 0.0249
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.154 0.3574 0.9353
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0103 0.0171 0.024
Schistosoma mansoni hypothetical protein 0.0121 0.0213 0.0299
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0108 0.0182 0.5846
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0587 0.1317 0.1848
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0263 0.055 0.0771
Trichomonas vaginalis D-aminoacylase, putative 0.0108 0.0182 0.0461
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0484 0.1073 0.2737
Echinococcus multilocularis geminin 0.0186 0.0367 0.0367
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.0208 0.1312
Brugia malayi hypothetical protein 0.0432 0.095 0.2488
Onchocerca volvulus 0.0108 0.0182 0.1524
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.034 0.0732 0.1836
Echinococcus multilocularis Niemann Pick C1 protein 0.0292 0.0619 0.0619
Loa Loa (eye worm) hypothetical protein 0.0559 0.1251 0.1966
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.034 0.0732 0.1917
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0059 0.0137
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0056 0.0145
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.034 0.0732 0.1836
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0212 0.0429 0.1124
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0103 0.0171 0.024
Brugia malayi hypothetical protein 0.0071 0.0095 0.025
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0056 0.0059 0.0055
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0297 0.063 0.0883
Echinococcus multilocularis thymidylate synthase 0.0106 0.0177 0.0177
Mycobacterium tuberculosis Conserved protein 0.0108 0.0182 0.1142
Loa Loa (eye worm) hypothetical protein 0.0108 0.0182 0.0286
Entamoeba histolytica protein kinase rad3, putative 0.0212 0.0429 0.1038
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.0184 0.0468
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0263 0.055 0.1426
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0056 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0103 0.0171 0.0356
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0066 0.0092
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.018 0.113
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Toxoplasma gondii target of rapamycin (TOR), putative 0.034 0.0732 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.004 0.0056
Onchocerca volvulus 0.0108 0.0182 0.1524
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.034 0.0732 0.0732
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Leishmania major hypothetical protein, conserved 0.0108 0.0182 0.0401
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0056 0.0059 0.006
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.3041 0.7129 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0108 0.0182 0.1142
Loa Loa (eye worm) hypothetical protein 0.0148 0.0276 0.0434
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Trichomonas vaginalis PIKK family atypical protein kinase 0.034 0.0732 0.1904
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0171 0.0433
Loa Loa (eye worm) hypothetical protein 0.0154 0.0291 0.0457
Loa Loa (eye worm) phosphatidylinositol 3 0.0103 0.0171 0.0269
Trypanosoma brucei target of rapamycin kinase 3, putative 0.034 0.0732 0.5425
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0059 0.0915
Schistosoma mansoni hypothetical protein 0.0103 0.0171 0.024
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0056 0.0056

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.54 microM Cytotoxicity against HUVEC after 72 hrs by crystal violet staining ChEMBL. 19954252
IC50 (functional) = 0.95 microM Vascular disrupting activity in HUVEC assessed as change in cell morphology with detachment form substrate after 1 hr by crystal violet staining-based inverted light microscopy ChEMBL. 19954252
IC50 (functional) = 20 microM Cytotoxicity against HUVEC after 1 hr by crystal violet staining ChEMBL. 19954252

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19954252

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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