Detailed information for compound 36478

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 635.678 | Formula: C31H42FN3O10
  • H donors: 7 H acceptors: 9 LogP: -0.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 3
  • SMILES: OCC(=O)[C@@]1(O)[C@@H](C)CC2C1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=CC12C)F.OCC1OC(C(C1O)O)n1ccc(nc1=O)N
  • InChi: 1S/C22H29FO5.C9H13N3O5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t12-,15?,16?,17?,19?,20?,21+,22+;/m1./s1
  • InChiKey: WZAZTVWTLIPGDD-HAPSVMHSSA-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
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0026 0.0144
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.006 0.0102
Leishmania major trypanothione reductase 0.0046 0.0306 0.0736
Brugia malayi RNase H family protein 0.0021 0.0106 0.0592
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0106 0.0795 0.8918
Loa Loa (eye worm) steroid hormone receptor 0.001 0.001 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.001 0.0058
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0884 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Loa Loa (eye worm) hypothetical protein 0.0026 0.0145 0.0809
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.006 0.0102
Brugia malayi nuclear receptor NHR-88 0.001 0.001 0.0058
Trichomonas vaginalis ribonuclease H1, putative 0.0021 0.0106 0.0219
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Trypanosoma cruzi thymidine kinase, putative 0.0485 0.3903 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.001 0.001
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.001 0.001
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.001 0.0058
Schistosoma mansoni lamin 0.0026 0.0145 0.0145
Trichomonas vaginalis thymidylate kinase, putative 0.007 0.0503 0.1242
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.0165
Trypanosoma brucei ingi protein (ORF1) 0.0026 0.0145 0.0322
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.001 0.0038
Echinococcus multilocularis bloom syndrome protein 0.0021 0.01 0.0367
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0306 0.5709
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.006 0.1199
Entamoeba histolytica Thymidylate kinase, putative 0.007 0.0503 0.1242
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.001 0.0058
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.008 0.0262
Echinococcus multilocularis FTZ F1 alpha 0.001 0.001 0.0038
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.008 0.0152
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0884 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0164 0.2335
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.008 0.0761
Brugia malayi thymidylate kinase 0.007 0.0503 0.2815
Plasmodium falciparum thioredoxin reductase 0.0016 0.006 0.1199
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0795 0.1995
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.001 0.0058
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.006 0.1199
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.01 0.0204
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.0795 0.4452
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0164 0.1406
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.006 0.0102
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0788 0.8837
Chlamydia trachomatis thymidylate kinase 0.007 0.0503 1
Treponema pallidum thymidylate kinase (tmk) 0.007 0.0503 0.6022
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0164 0.3254
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0106 0.0795 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.001 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.001 0.0058
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.006 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.001 0.0058
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0145 0.0809
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.008 0.0152
Schistosoma mansoni hypothetical protein 0.0214 0.1688 0.1688
Leishmania major thymidylate kinase-like protein 0.007 0.0503 0.1242
Loa Loa (eye worm) glutathione reductase 0.0046 0.0306 0.1715
Trypanosoma cruzi thymidylate kinase, putative 0.007 0.0503 0.1242
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.001 0.0038
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.008 0.0293
Plasmodium falciparum thymidylate kinase 0.007 0.0503 1
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0145 0.0322
Toxoplasma gondii thymidylate kinase 0.007 0.0503 1
Leishmania major ATP-dependent phosphofructokinase 0.0106 0.0795 0.1995
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.001 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.001 0.0058
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.008 0.0293
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.001 0.001
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.001 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.001 0.0058
Schistosoma mansoni lamin 0.0026 0.0145 0.0145
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0033 0.0123
Echinococcus multilocularis lamin dm0 0.0026 0.0145 0.0532
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0788 0.8837
Echinococcus multilocularis geminin 0.034 0.2715 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.001 0.0058
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.0795 0.1995
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0306 0.2985
Echinococcus granulosus bloom syndrome protein 0.0021 0.01 0.0367
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.006 0.0102
Echinococcus granulosus lamin dm0 0.0026 0.0145 0.0532
Mycobacterium ulcerans 6-phosphofructokinase 0.0106 0.0795 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.001 0.001
Echinococcus multilocularis ribonuclease H1 0.0021 0.0106 0.0389
Schistosoma mansoni thyroid hormone receptor 0.001 0.001 0.001
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.006 0.034
Giardia lamblia Thymidine kinase 0.0485 0.3903 1
Brugia malayi RNase H family protein 0.0021 0.0106 0.0592
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.001 0.0038
Brugia malayi ecdysteroid receptor 0.001 0.001 0.0058
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.001 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.001 0.0058
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.001 0.0038
Brugia malayi Thioredoxin reductase 0.0046 0.0306 0.1715
Trichomonas vaginalis thymidine kinase, putative 0.0485 0.3903 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.006 0.1199
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.0795 0.0795
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0164 0.2596
Giardia lamblia CDC8 0.007 0.0503 0.1288
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.001 0.0038
Echinococcus granulosus thymidylate kinase 0.007 0.0503 0.1852
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.008 0.0152
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.001 0.0058
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.008 0.0152
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0306 0.0736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.001 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.001 0.0058
Echinococcus granulosus 6 phosphofructokinase 0.0106 0.0795 0.2929
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0223 0.1761 0.1761
Onchocerca volvulus Putative thymidylate kinase 0.007 0.0503 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0026 0.0144
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.001 0.0058
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.008 0.0204
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0164 0.0368
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.001 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.001 0.0058
Brugia malayi phosphofructokinase 0.0106 0.0795 0.4452
Trypanosoma brucei ribonuclease H1 0.0021 0.0106 0.0219
Trichomonas vaginalis thymidine kinase, putative 0.0485 0.3903 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.006 0.0222
Trypanosoma brucei thymidylate kinase, putative 0.007 0.0503 0.1242
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0106 0.0795 0.7663
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.008 0.0436
Brugia malayi 6-phosphofructokinase 0.0106 0.0795 0.4452
Trypanosoma cruzi thymidylate kinase, putative 0.007 0.0503 0.1242
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.007 0.0503 1
Echinococcus granulosus FTZ F1 alpha 0.001 0.001 0.0038
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0045 0.0251
Treponema pallidum ribonuclease H (rnhA) 0.0021 0.0106 0.0617
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.0788 0.7488
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.001 0.0038
Leishmania major hypothetical protein, conserved 0.0027 0.0155 0.0345
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.1786 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0306 0.1128
Echinococcus multilocularis thymidylate kinase 0.007 0.0503 0.1852
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.001 0.0038
Trypanosoma cruzi ribonuclease H1, putative 0.0021 0.0106 0.0219
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0795 0.1995
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.001 0.0058
Plasmodium falciparum glutathione reductase 0.0046 0.0306 0.6091
Trypanosoma brucei ingi protein (ORF1) 0.0026 0.0145 0.0322
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0033 0.0123
Schistosoma mansoni thymidylate kinase 0.007 0.0503 0.0503
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0164 0.0368
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.008 0.0152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.001 0.0058
Loa Loa (eye worm) hypothetical protein 0.0017 0.0065 0.0366
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.001 0.001
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0164 0.0368
Brugia malayi intermediate filament protein 0.0026 0.0145 0.0809
Plasmodium vivax thymidylate kinase, putative 0.007 0.0503 1
Plasmodium falciparum thioredoxin reductase 0.0046 0.0306 0.6091
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.001 0.001
Trichomonas vaginalis thymidine kinase, putative 0.0485 0.3903 1
Brugia malayi follicle stimulating hormone receptor 0.0226 0.1786 1
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0164 0.3254
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.007 0.0503 0.5371
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.008 0.0446
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0164 0.0368
Trypanosoma brucei thymidine kinase 0.0485 0.3903 1
Echinococcus granulosus lamin 0.0026 0.0145 0.0532
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.006 0.0102
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0164 0.0368
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0145 0.0809
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.008 0.0234
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0884 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.001 0.0038
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0164 0.0368
Brugia malayi glutathione reductase 0.0046 0.0306 0.1715
Entamoeba histolytica thymidine kinase, putative 0.0485 0.3903 1
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0164 0.3254
Trypanosoma brucei unspecified product 0.0026 0.0145 0.0322
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.01 0.0204
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.0165
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.006 0.0222
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.006 0.0102
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.006 0.0155
Onchocerca volvulus Ribonuclease H1 homolog 0.0021 0.0106 0.1936
Brugia malayi 6-phosphofructokinase 0.0106 0.0795 0.4452
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.006 0.0102
Schistosoma mansoni hypothetical protein 0.034 0.2715 0.2715
Schistosoma mansoni phosphoglucomutase 0.0021 0.0106 0.0106
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.006 0.0102
Onchocerca volvulus 0.0026 0.0145 0.2725
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0164 0.2596
Trypanosoma brucei RNA helicase, putative 0.0214 0.1688 0.4294
Mycobacterium ulcerans thymidylate kinase 0.007 0.0503 0.6022
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.006 0.006
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.006 0.0102
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0045 0.0251
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.006 0.0102
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.001 0.001
Schistosoma mansoni hypothetical protein 0.034 0.2715 0.2715
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.001 0.0038
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.01 0.0558
Schistosoma mansoni phosphoglucomutase 0.0021 0.0106 0.0106
Trichomonas vaginalis thymidylate kinase, putative 0.007 0.0503 0.1242
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0027 0.0155 0.0345
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0164 0.3254
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.001 0.0038
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.008 0.1583
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.001 0.0038
Brugia malayi RNase H family protein 0.0021 0.0106 0.0592
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.0795 0.1995
Schistosoma mansoni phosphoglucomutase 0.0021 0.0106 0.0106
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0164 0.0368
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Toxoplasma gondii exonuclease III APE 0.0018 0.008 0.1583
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0027 0.0155 0.0345
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.008 0.0262
Leishmania major thymidine kinase, putative 0.0485 0.3903 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.001 0.001
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0795 0.1995
Plasmodium vivax glutathione reductase, putative 0.0046 0.0306 0.5709
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Brugia malayi steroid hormone receptor 0.001 0.001 0.0058
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0164 0.0368
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0026 0.0145 0.0322
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0164 0.2335
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Plasmodium falciparum glutathione reductase 0.0016 0.006 0.1199
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0306 0.1128
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0795 0.1995
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.008 0.0152
Brugia malayi nuclear hormone receptor 0.001 0.001 0.0058
Schistosoma mansoni ap endonuclease 0.0018 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0013 0.0033 0.0187
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0043 0.0863
Trypanosoma brucei trypanothione reductase 0.0046 0.0306 0.0736
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.0795 0.4452
Echinococcus multilocularis lamin 0.0026 0.0145 0.0532
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0788 0.8837
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0795 0.1995
Schistosoma mansoni intermediate filament proteins 0.0026 0.0145 0.0145
Schistosoma mansoni ap endonuclease 0.0018 0.008 0.008
Schistosoma mansoni hypothetical protein 0.007 0.0503 0.0503
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0795 0.1995
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.001 0.001
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.001 0.0058
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0306 0.1715
Loa Loa (eye worm) RecQ helicase 0.0021 0.01 0.0558
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0164 0.0419
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0884 1
Schistosoma mansoni coup transcription factor 0.001 0.001 0.001
Leishmania major ribonuclease H1, putative 0.0021 0.0106 0.0219
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.008 0.0152
Echinococcus granulosus intermediate filament protein 0.0026 0.0145 0.0532
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0064 0.0064
Schistosoma mansoni thymidylate kinase 0.007 0.0503 0.0503
Giardia lamblia Ribonuclease H 0.0021 0.0106 0.0271
Echinococcus granulosus geminin 0.034 0.2715 1
Trypanosoma cruzi ribonuclease H1, putative 0.0021 0.0106 0.0219
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.006 0.034
Echinococcus multilocularis 6 phosphofructokinase 0.0106 0.0795 0.2929
Echinococcus multilocularis musashi 0.0026 0.0145 0.0532
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.008 0.0446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.001 0.0058
Loa Loa (eye worm) thymidylate kinase 0.007 0.0503 0.2815
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.0102
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0788 0.8837
Toxoplasma gondii ribonuclease HI protein 0.0021 0.0106 0.2101
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.001 0.0058
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.006 0.0338
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0079 0.1573
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0021 0.0106 0.1025
Trypanosoma brucei thymidylate kinase, putative 0.007 0.0503 0.1242
Trypanosoma cruzi thymidine kinase, putative 0.0485 0.3903 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0145 0.0809
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.001 0.0058
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0795 0.1995
Echinococcus granulosus ribonuclease H1 0.0021 0.0106 0.0389
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.006 0.1199
Brugia malayi Steroid receptor seven-up type 2 0.001 0.001 0.0058
Loa Loa (eye worm) hypothetical protein 0.001 0.001 0.0058
Schistosoma mansoni nuclear hormone receptor 0.001 0.001 0.001
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.001 0.0038
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0026 0.0141 0.0787
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0164 0.3254
Toxoplasma gondii thioredoxin reductase 0.0046 0.0306 0.6091
Onchocerca volvulus 0.0026 0.0145 0.2725
Loa Loa (eye worm) phosphofructokinase 0.0106 0.0795 0.4452
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0788 0.8837
Mycobacterium tuberculosis Probable reductase 0.0105 0.0788 0.8837
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.0795 0.0795

Activities

Activity type Activity value Assay description Source Reference
ILS (functional) = -14 % Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 9.2 and 14.9 mg/kg/day x 5 was determined as percentage increase in the life span as compared with control tumor bearers ChEMBL. 7452687
ILS (functional) = -6 % Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 34.8 and 56.1 mg/kg/day x 5 was determined as percentage increase in the life span as compared with control tumor bearers ChEMBL. 7452687
Survival time (functional) = 8 day Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 9.2 and 14.9 mg/kg/day x 5 was determined as Survival time in days; Range is 8-10 days ChEMBL. 7452687
Survival time (functional) = 8 day Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 34.8 and 56.1 mg/kg/day x 5 was determined as Survival time in days; Range is 8-9 days ChEMBL. 7452687
Survivors (functional) = 0 Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 9.2 and 14.9 mg/kg/day x 5 was determined and number of animals survived on 30 th day were reported; 0/6 ChEMBL. 7452687
Survivors (functional) = 0 Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 34.8 and 56.1 mg/kg/day x 5 was determined and number of animals survived on 30 th day were reported; 0/8 ChEMBL. 7452687
T/C (functional) = 9.5 Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose of 9.2 and 14.9 mg/kg/day x 5 was determined as mean survival of treated group compared to untreated; 9.5/9 ChEMBL. 7452687
T/C (functional) = 9.5 Antitumor activity in the mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose of 34.8 and 56.1 mg/kg/day x 5 was determined as mean survival of treated group compared to untreated; 9.5/9 ChEMBL. 7452687
Weight change (functional) = -4.23 g mouse-1 Antitumor activity in mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 9.2 and 14.9 mg/kg/day x 5 was determined as weight change (g/mouse) on 8th day ChEMBL. 7452687
Weight change (functional) = -2.72 g mouse-1 Antitumor activity in mice with intraperitoneal implanted L1210 lymphoid leukemia at the dose 34.8 and 56.1 mg/kg/day x 5 was determined as weight change (g/mouse) on 8th day ChEMBL. 7452687

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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