Detailed information for compound 13459

Basic information

Technical information
  • TDR Targets ID: 13459
  • Name: 1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benz ene
  • MW: 360.878 | Formula: C12H4Cl6
  • H donors: 0 H acceptors: 0 LogP: 7.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(cc(c1Cl)Cl)c1cc(Cl)c(c(c1)Cl)Cl
  • InChi: 1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
  • InChiKey: ZHLICBPIXDOFFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4,5,3',4',5'-hexachlorobiphenyl
  • 1336-36-3
  • 32774-16-6
  • Polychlorinated biphenyls (PCBs)
  • 1,1'-Biphenyl, 3,3',4,4',5,5'-hexachloro-
  • 1,1'-Biphenyl, 3,3',4,4',5,5'-hexachloro- (9CI)
  • 3,3',4,4',5,5'-Hexachloro-1,1'-biphenyl
  • 3,3',4,4',5,5'-Hexachlorobiphenyl
  • 3,4,5,3',4',5'-Hexa coplanar polychlorinated biphenyl
  • 3-05-00-01742 (Beilstein Handbook Reference)
  • BRN 1990183
  • Biphenyl, 3,3',4,4',5,5'-hexachloro-
  • HSDB 3948
  • PCB 169

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) hypothetical protein 0.0019 0.0031 0.0177
Loa Loa (eye worm) phosphofructokinase 0.0126 0.0768 0.4358
Echinococcus granulosus lamin dm0 0.0031 0.0115 0.0444
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.0761 0.5113
Loa Loa (eye worm) RecQ helicase 0.0025 0.007 0.04
Onchocerca volvulus Ribonuclease H1 homolog 0.0297 0.194 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.0278 0.1575
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0297 0.194 1
Plasmodium falciparum glutathione reductase 0.0055 0.0278 0.1727
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0278 0.1817
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0031 0.0001
Schistosoma mansoni phosphoglucomutase 0.0297 0.194 0.1915
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0031 0.008
Echinococcus granulosus 6 phosphofructokinase 0.0126 0.0768 0.3047
Echinococcus multilocularis thymidylate kinase 0.0227 0.1459 0.5806
Loa Loa (eye worm) 6-phosphofructokinase 0.0126 0.0768 0.4358
Leishmania major trypanothione reductase 0.0055 0.0278 0.064
Leishmania major protein kinase, putative 0.0019 0.0031 0.0001
Brugia malayi hypothetical protein 0.0032 0.0119 0.0539
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0031 0.0001
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Brugia malayi hypothetical protein 0.0032 0.0119 0.0539
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0032 0.0119 0.0092
Giardia lamblia Thymidine kinase 0.058 0.3885 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Plasmodium vivax glutathione reductase, putative 0.0055 0.0278 0.1817
Schistosoma mansoni aryl hydrocarbon receptor 0.0213 0.1363 0.1336
Mycobacterium tuberculosis Possible maturase 0.0032 0.0119 0.0617
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Mycobacterium ulcerans 6-phosphofructokinase 0.0126 0.0768 0.516
Schistosoma mansoni phosphoglucomutase 0.0297 0.194 0.1915
Trichomonas vaginalis thymidine kinase, putative 0.058 0.3885 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.0857 0.5785
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Echinococcus granulosus lamin 0.0031 0.0115 0.0444
Toxoplasma gondii ribonuclease HI protein 0.0297 0.194 1
Brugia malayi thymidylate kinase 0.0227 0.1459 0.7502
Schistosoma mansoni hypothetical protein 0.0032 0.0119 0.0088
Entamoeba histolytica thymidine kinase, putative 0.058 0.3885 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0115 0.0655
Loa Loa (eye worm) hypothetical protein 0.014 0.0858 0.4873
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0134 0.0269
Echinococcus granulosus RNA directed DNA polymerase 0.0032 0.0119 0.0459
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0032 0.0119 0.0229
Schistosoma mansoni hypothetical protein 0.038 0.251 0.2487
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0031 0.0001
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0126 0.0768 0.1912
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0126 0.0768 0.0773
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0089 0.0512 0.1248
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0034 0.0134 0.0626
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.005 0.005
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0329 0.2159 0.2232
Echinococcus granulosus KRAB A domain containing protein 0.0032 0.0119 0.0459
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0031 0.0088
Trypanosoma cruzi ribonuclease H1, putative 0.0297 0.194 0.4953
Onchocerca volvulus 0.0055 0.0278 0.1292
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0278 0.1727
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.0761 0.5113
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0031 0.0001
Echinococcus granulosus bloom syndrome protein 0.0025 0.007 0.0265
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0032 0.0119 0.0229
Loa Loa (eye worm) hypothetical protein 0.0019 0.0031 0.0176
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.005 0.005
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0034 0.0134 0.022
Brugia malayi bHLH-PAS transcription factor 0.0054 0.0273 0.134
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0031 0.0088
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.0761 0.5113
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0032 0.0119 0.0092
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.005 0.0184
Trypanosoma brucei ingi protein (ORF1) 0.0329 0.2159 0.2232
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.005 0.0181
Schistosoma mansoni ap endonuclease 0.0022 0.005 0.0019
Schistosoma mansoni hypothetical protein 0.1407 0.9568 0.9566
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0119 0.0459
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0278 0.1092
Trichomonas vaginalis ribonuclease H1, putative 0.0297 0.194 0.4953
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.005 0.005
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0119 0.0229
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Echinococcus granulosus intermediate filament protein 0.0031 0.0115 0.0444
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0204
Leishmania major ribonuclease H1, putative 0.0297 0.194 0.4953
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Brugia malayi PAS domain containing protein 0.0073 0.0404 0.2022
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Leishmania major protein kinase, putative 0.0019 0.0031 0.0001
Schistosoma mansoni ap endonuclease 0.0022 0.005 0.0019
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.0761 0.5112
Loa Loa (eye worm) hypothetical protein 0.0158 0.0985 0.5592
Brugia malayi hypothetical protein 0.0019 0.0031 0.0082
Entamoeba histolytica Thymidylate kinase, putative 0.0227 0.1459 0.3674
Mycobacterium ulcerans putative regulatory protein 0.0054 0.0273 0.1698
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0031 0.0001
Trypanosoma cruzi ribonuclease H1, putative 0.0297 0.194 0.4953
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0032 0.0119 0.0229
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0119 0.0088
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.005 0.0132
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0278 0.064
Schistosoma mansoni thymidylate kinase 0.0227 0.1459 0.1433
Echinococcus multilocularis lamin dm0 0.0031 0.0115 0.0444
Giardia lamblia CDC8 0.0227 0.1459 0.3706
Trichomonas vaginalis reverse transcriptases, putative 0.0032 0.0119 0.0229
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.005 0.0135
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.0768 0.1912
Loa Loa (eye worm) hypothetical protein 0.0139 0.0854 0.4848
Trichomonas vaginalis thymidine kinase, putative 0.058 0.3885 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0119 0.0459
Trypanosoma brucei thymidylate kinase, putative 0.0227 0.1459 0.1498
Treponema pallidum ribonuclease H (rnhA) 0.0297 0.194 1
Leishmania major thymidine kinase, putative 0.058 0.3885 1
Leishmania major thymidylate kinase-like protein 0.0227 0.1459 0.3706
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0031 0.0001
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0031 0.0001
Toxoplasma gondii thymidylate kinase 0.0227 0.1459 0.7504
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0134 0.0269
Brugia malayi Zinc knuckle family protein 0.0032 0.0119 0.0539
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0134 0.0725
Brugia malayi 6-phosphofructokinase 0.0126 0.0768 0.3909
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Echinococcus multilocularis geminin 0.038 0.251 1
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.007 0.0103
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0134 0.0269
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.0768 0.1912
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0031 0.0108
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0032 0.0119 0.0229
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.0857 0.5786
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0134 0.0725
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Trypanosoma cruzi thymidylate kinase, putative 0.0227 0.1459 0.3706
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.005 0.0135
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0031 0.0001
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0032 0.0119 0.0088
Echinococcus multilocularis ribonuclease H1 0.0297 0.194 0.7724
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.0655
Schistosoma mansoni 6-phosphofructokinase 0.0126 0.0768 0.0739
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0019 0.0031 0.0002
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0134 0.0725
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.005 0.0135
Brugia malayi follicle stimulating hormone receptor 0.0271 0.1762 0.9074
Brugia malayi reverse transcriptase 0.0032 0.0119 0.0539
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.005 0.0242
Schistosoma mansoni 6-phosphofructokinase 0.0126 0.0768 0.0739
Entamoeba histolytica phosphofructokinase, putative 0.0126 0.0768 0.1871
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0134 0.0826
Plasmodium falciparum thymidylate kinase 0.0227 0.1459 1
Chlamydia trachomatis thymidylate kinase 0.0227 0.1459 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0126 0.0768 0.386
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.002 0.0035 0.0126
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.005 0.0101
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0126 0.0768 0.5159
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.007 0.0286
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.0768 0.1912
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0119 0.0459
Trypanosoma cruzi thymidine kinase, putative 0.058 0.3885 1
Onchocerca volvulus Putative thymidylate kinase 0.0227 0.1459 0.7481
Brugia malayi Protein kinase domain containing protein 0.0019 0.0031 0.0081
Brugia malayi glutathione reductase 0.0055 0.0278 0.1362
Echinococcus granulosus ribonuclease H1 0.0297 0.194 0.7724
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.005 0.0101
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0119 0.0459
Plasmodium falciparum cysteine repeat modular protein 1 0.0019 0.0031 0.0001
Onchocerca volvulus 0.0032 0.0119 0.0461
Trypanosoma brucei hypothetical protein, conserved 0.0329 0.2159 0.2232
Trypanosoma cruzi thymidine kinase, putative 0.058 0.3885 1
Trichomonas vaginalis reverse transcriptases, putative 0.0032 0.0119 0.0229
Mycobacterium ulcerans thymidylate kinase 0.0227 0.1459 1
Brugia malayi hypothetical protein 0.0032 0.0119 0.0539
Schistosoma mansoni hypothetical protein 0.038 0.251 0.2487
Trypanosoma brucei trypanothione reductase 0.0055 0.0278 0.0259
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0034 0.0134 0.0269
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.002 0.0035 0.0201
Treponema pallidum thymidylate kinase (tmk) 0.0227 0.1459 0.7482
Trypanosoma brucei ingi protein (ORF1) 0.0329 0.2159 0.2232
Echinococcus granulosus tissue type plasminogen activator 0.0019 0.0031 0.0108
Brugia malayi reverse transcriptase 0.0032 0.0119 0.0539
Brugia malayi Kringle domain containing protein 0.0019 0.0031 0.0081
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0267 0.1736 0.1711
Echinococcus multilocularis aryl hydrocarbon receptor 0.0159 0.099 0.3932
Brugia malayi hypothetical protein 0.0032 0.0119 0.0539
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0031 0.0001
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.005 0.005
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.0761 0.5113
Trichomonas vaginalis thymidylate kinase, putative 0.0227 0.1459 0.3706
Echinococcus multilocularis bloom syndrome protein 0.0025 0.007 0.0265
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.0761 0.5113
Schistosoma mansoni protein kinase 0.0032 0.0119 0.0088
Giardia lamblia Ribonuclease H 0.0297 0.194 0.4953
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0032 0.0119 0.0461
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0227 0.1459 0.7482
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.005 0.005
Echinococcus multilocularis 6 phosphofructokinase 0.0126 0.0768 0.3047
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0019 0.0031 0.0109
Toxoplasma gondii 6-phosphofructokinase 0.0034 0.0134 0.0626
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0035 0.0004
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.002 0.0035 0.0126
Brugia malayi reverse transcriptase 0.0032 0.0119 0.0539
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.005 0.0285
Schistosoma mansoni phosphoglucomutase 0.0297 0.194 0.1915
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Brugia malayi Zinc knuckle family protein 0.0032 0.0119 0.0539
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0271 0.1762 1
Schistosoma mansoni lamin 0.0031 0.0115 0.0085
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0019 0.0031 0.0001
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0089 0.0512 0.1248
Plasmodium falciparum thioredoxin reductase 0.0055 0.0278 0.1727
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0227 0.1459 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0115 0.0085
Brugia malayi RNase H family protein 0.0297 0.194 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0115 0.0655
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0015 0.0087
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0278 0.1575
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0031 0.0107
Entamoeba histolytica phosphofructokinase, putative 0.0126 0.0768 0.1871
Onchocerca volvulus 0.0031 0.0115 0.0442
Onchocerca volvulus 0.0158 0.0985 0.4998
Loa Loa (eye worm) 6-phosphofructokinase 0.0126 0.0768 0.4358
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0031 0.0001
Schistosoma mansoni single-minded 0.0073 0.0404 0.0375
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0034 0.0134 0.0269
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0032 0.0119 0.0229
Echinococcus multilocularis lamin 0.0031 0.0115 0.0444
Trypanosoma brucei thymidylate kinase, putative 0.0227 0.1459 0.1498
Giardia lamblia Reverse transcriptase/endonuclease 0.0032 0.0119 0.0229
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0034 0.0134 0.0543
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.005 0.005
Echinococcus granulosus single minded 2 0.0054 0.0273 0.1075
Brugia malayi RNase H family protein 0.0297 0.194 1
Echinococcus multilocularis musashi 0.0031 0.0115 0.0444
Loa Loa (eye worm) TK/ROR protein kinase 0.0019 0.0031 0.0176
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0032 0.0119 0.0092
Toxoplasma gondii phosphofructokinase PFKII 0.0034 0.0134 0.0626
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.005 0.002
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0031 0.0001
Brugia malayi intermediate filament protein 0.0031 0.0115 0.0519
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Echinococcus granulosus geminin 0.038 0.251 1
Echinococcus multilocularis transfer RNA-Lys 0.0054 0.0273 0.1075
Mycobacterium tuberculosis Probable reductase 0.0125 0.0761 0.5113
Brugia malayi RNase H family protein 0.0297 0.194 1
Toxoplasma gondii kringle domain-containing protein 0.0019 0.0031 0.0089
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0278 0.1092
Echinococcus multilocularis tissue type plasminogen activator 0.0019 0.0031 0.0108
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0031 0.0108
Echinococcus granulosus aryl hydrocarbon receptor 0.0159 0.099 0.3932
Trypanosoma brucei ribonuclease H1 0.0297 0.194 0.2002
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0032 0.0119 0.0229
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.0768 0.1912
Trypanosoma cruzi thymidylate kinase, putative 0.0227 0.1459 0.3706
Loa Loa (eye worm) hypothetical protein 0.0031 0.0111 0.0632
Trypanosoma brucei RNA helicase, putative 0.1407 0.9568 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0032 0.0119 0.0459
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0134 0.0269
Onchocerca volvulus 0.0032 0.0119 0.0461
Plasmodium vivax thymidylate kinase, putative 0.0227 0.1459 1
Echinococcus granulosus thymidylate kinase 0.0227 0.1459 0.5806
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0139 0.0854 0.4358
Trichomonas vaginalis guanylate cyclase, putative 0.0019 0.0031 0.0001
Trypanosoma brucei unspecified product 0.0329 0.2159 0.2232
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.007 0.0103
Entamoeba histolytica phosphofructokinase, putative 0.0126 0.0768 0.1871
Onchocerca volvulus 0.0031 0.0115 0.0442
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0134 0.0269
Schistosoma mansoni hypothetical protein 0.0032 0.0119 0.0088
Leishmania major ATP-dependent phosphofructokinase 0.0126 0.0768 0.1912
Brugia malayi Thioredoxin reductase 0.0055 0.0278 0.1362
Brugia malayi phosphofructokinase 0.0126 0.0768 0.3909
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0031 0.0001
Toxoplasma gondii exonuclease III APE 0.0022 0.005 0.0189
Leishmania major hypothetical protein, conserved 0.0089 0.0512 0.1248
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0019 0.0031 0.0001
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.0857 0.5786
Toxoplasma gondii thioredoxin reductase 0.0055 0.0278 0.1369
Trichomonas vaginalis thymidylate kinase, putative 0.0227 0.1459 0.3706
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Schistosoma mansoni hypothetical protein 0.0227 0.1459 0.1433
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0115 0.0519
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.005 0.0184
Schistosoma mansoni lamin 0.0031 0.0115 0.0085
Loa Loa (eye worm) thymidylate kinase 0.0227 0.1459 0.8283
Schistosoma mansoni thymidylate kinase 0.0227 0.1459 0.1433
Brugia malayi 6-phosphofructokinase 0.0126 0.0768 0.3909
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.0857 0.5786
Trypanosoma brucei thymidine kinase 0.058 0.3885 0.4041
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0227 0.1459 1
Trichomonas vaginalis guanylate cyclase, putative 0.0019 0.0031 0.0001
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0031 0.0107
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0119 0.0539
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0134 0.0725
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0134 0.0826
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0126 0.0768 0.516
Trichomonas vaginalis thymidine kinase, putative 0.058 0.3885 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0134 0.0269
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0119 0.0459
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0031 0.0001
Trichomonas vaginalis adenylate cyclase, putative 0.0019 0.0031 0.0001
Echinococcus multilocularis RNA directed DNA polymerase 0.0032 0.0119 0.0459
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0022

Activities

Activity type Activity value Assay description Source Reference
Binding affinity (binding) = 313 Relative binding affinity to prealbumin was determined from the competition binding assays and is expressed relative to L-T4 ChEMBL. 3009810
Concentration (binding) = 0.0000000032 M Concentration at which 50% total binding against prealbumin protein occurs ChEMBL. 3009810
Concentration (binding) = 0.0000000032 M Concentration at which 50% total binding against prealbumin protein occurs ChEMBL. 3009810
KPCB (binding) = 61.6 M-1 Displacement of [125I]-thyroxin from human plasma prealbumin. ChEMBL. 3097319
KPCB (binding) = 61.6 M-1 Displacement of [125I]-thyroxin from human plasma prealbumin. ChEMBL. 3097319
KT4 (binding) = 5.03 M-1 Thyroxine binding constant on human plasma prealbumin. ChEMBL. 3097319
KT4 (binding) = 5.03 M-1 Thyroxine binding constant on human plasma prealbumin. ChEMBL. 3097319
logP (ADMET) = 7.55 Partition coefficient (logP) ChEMBL. 11909732
Ratio (binding) = 0.01 Relative binding affinity for nuclear receptor from rat liver compared to thyroxine (T4) as KA(comp)/KA(T4 ChEMBL. 3100800
Ratio (binding) = 12.23 Relative binding affinity for thyroxin binding prealbumin (TBPA) from rat liver compared to thyroxine (T4) as KA(comp)/KA(T4) ChEMBL. 3100800
Ratio (binding) = 0.01 Relative binding affinity for nuclear receptor from rat liver compared to thyroxine (T4) as KA(comp)/KA(T4 ChEMBL. 3100800
Ratio (binding) = 12.23 Relative binding affinity for thyroxin binding prealbumin (TBPA) from rat liver compared to thyroxine (T4) as KA(comp)/KA(T4) ChEMBL. 3100800
Ratio (binding) = 27.7 KPCB/ K352 ratio of the compound ChEMBL. 3097319

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

4 literature references were collected for this gene.

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