Detailed information for compound 276762

Basic information

Technical information
  • TDR Targets ID: 276762
  • Name: [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxy benzoyl)oxyphenyl]-5,7-dihydroxy-3,4-dihydro- 2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
  • MW: 610.476 | Formula: C29H22O15
  • H donors: 10 H acceptors: 12 LogP: 2.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 4
  • SMILES: Oc1cc2O[C@H](c3cc(O)c(c(c3)O)OC(=O)c3cc(O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O
  • InChi: 1S/C29H22O15/c30-13-7-15(31)14-9-23(43-28(40)11-3-16(32)24(38)17(33)4-11)26(42-22(14)8-13)10-1-20(36)27(21(37)2-10)44-29(41)12-5-18(34)25(39)19(35)6-12/h1-8,23,26,30-39H,9H2/t23-,26-/m1/s1
  • InChiKey: LPOACLRSLAMIRP-ZEQKJWHPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-phenyl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
  • 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[3,5-dihydroxy-4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester
  • [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenyl)carbonyloxy-phenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
  • 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(4-galloyloxy-3,5-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl] ester
  • [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyphenyl]-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate
  • 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[3,5-dihydroxy-4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]phenyl]-5,7-dihydroxy-3-chromanyl] ester
  • 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-phenyl]-5,7-dihydroxy-chroman-3-yl] ester
  • [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenyl)carbonyloxy-phenyl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
  • 3,4'-di-O-gallate;Flavan-3-ol
  • AIDS-051679
  • AIDS051679
  • 2-(3,5-dihydroxy-4-(3,4,5-trihydroxyphenylcarbonyloxy)phenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate

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
Echinococcus granulosus ETHE1 protein 0.0035 0.0386 0.0308
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.1467 0.1398
Echinococcus multilocularis chromobox protein 1 0.0076 0.1658 0.1591
Trichomonas vaginalis beta lactamase domain, putative 0.0035 0.0386 0.036
Loa Loa (eye worm) hypothetical protein 0.0117 0.2913 0.3748
Onchocerca volvulus 0.0147 0.3833 0.7725
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0124 0.313 0.3075
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0035 0.0386 0.0141
Echinococcus multilocularis serine protein kinase ATM 0.0026 0.011 0.003
Leishmania major metallo-beta-lactamase family-like protein 0.0035 0.0386 0.0141
Onchocerca volvulus 0.0051 0.0888 0.124
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0394 0.0801
Echinococcus multilocularis tar DNA binding protein 0.0274 0.7718 0.7699
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0633 0.0679
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.5187 0.5372
Brugia malayi Bromodomain containing protein 0.0082 0.1836 0.2253
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0732 0.0812
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.7771 1
Loa Loa (eye worm) glutathione reductase 0.0037 0.0444 0.0571
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0174 0.4667 0.4832
Echinococcus multilocularis pyruvate kinase 0.0026 0.0114 0.0034
Loa Loa (eye worm) hypothetical protein 0.0035 0.0386 0.0497
Brugia malayi RNA recognition motif domain containing protein 0.0274 0.7718 0.993
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0072 0.1536 0.6593
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.7771 1
Brugia malayi follicle stimulating hormone receptor 0.0268 0.7531 0.9686
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0174 0.4667 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0732 0.0897
Brugia malayi Ets-domain containing protein 0.007 0.1467 0.1771
Schistosoma mansoni alpha-glucosidase 0.0135 0.3473 0.3591
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.008 0.0066
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.2162 0.4231
Echinococcus multilocularis geminin 0.0337 0.9641 0.9638
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.1277 0.2737
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0035 0.0386 0.0141
Schistosoma mansoni hypothetical protein 0.0033 0.0344 0.0341
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.1277 0.1207
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.1277 0.2737
Loa Loa (eye worm) hypothetical protein 0.0174 0.4667 0.6006
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.1021 0.1313
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.1277 0.1207
Entamoeba histolytica hypothetical protein 0.0026 0.011 0.0189
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0394 0.0845
Loa Loa (eye worm) hypothetical protein 0.006 0.1156 0.1488
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.1467 0.1888
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0174 0.4667 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0174 0.4667 1
Brugia malayi ethe1-prov protein 0.0035 0.0386 0.036
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0174 0.4667 0.5948
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.2162 0.4231
Plasmodium vivax unspecified product 0.0035 0.0386 0.0141
Loa Loa (eye worm) hypothetical protein 0.0108 0.2633 0.3388
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.2162 1
Brugia malayi MH2 domain containing protein 0.0267 0.7514 0.9665
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0035 0.0386 0.0141
Trichomonas vaginalis beta lactamase domain, putative 0.0035 0.0386 0.036
Echinococcus multilocularis ETHE1 protein 0.0035 0.0386 0.0308
Plasmodium falciparum glutathione reductase 0.0037 0.0444 0.0275
Onchocerca volvulus 0.0117 0.2913 0.5698
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.2545 0.3178
Loa Loa (eye worm) glutaminase 0.0264 0.741 0.9535
Trichomonas vaginalis glutaminase, putative 0.0264 0.741 0.9529
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0394 0.0371
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0035 0.0386 0.0308
Entamoeba histolytica type A flavoprotein, putative 0.0035 0.0386 0.0783
Leishmania major eukaryotic initiation factor 4a, putative 0.0174 0.4667 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.1877 0.3576
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0174 0.4667 0.4624
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0251 0.0184
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0174 0.4667 0.5948
Schistosoma mansoni hypothetical protein 0.0033 0.0344 0.0341
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0035 0.0386 0.0605
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0035 0.0386 0.0308
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0117 0.2913 0.3659
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0394 0.0161
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.1277 0.2703
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0117 0.2913 0.3659
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.1277 0.2195
Schistosoma mansoni glutaminase 0.0264 0.741 0.7682
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0386 0.0334
Leishmania major trypanothione reductase 0.0037 0.0444 0.0275
Leishmania major metallo-beta-lactamase family protein-like protein 0.0035 0.0386 0.0141
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0035 0.0386 0.0308
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.1143 0.1348
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0268 0.7531 0.9691
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0344 0.0266
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.1143 0.1155
Echinococcus granulosus GPCR family 2 0.0033 0.0344 0.0266
Echinococcus multilocularis tumor protein p63 0.0349 1 1
Brugia malayi Bromodomain containing protein 0.0042 0.0607 0.0649
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0394 0.0508
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0117 0.2913 0.3659
Mycobacterium ulcerans hydrolase 0.0035 0.0386 0.0087
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0035 0.0386 0.0141
Mycobacterium ulcerans hypothetical protein 0.0035 0.0386 0.0087
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0394 0.0371
Schistosoma mansoni tar DNA-binding protein 0.0274 0.7718 0.8002
Schistosoma mansoni lipoxygenase 0.0087 0.1985 0.2046
Trypanosoma cruzi glyoxalase II 0.0035 0.0386 0.0827
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.1143 0.1072
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0117 0.2913 0.2856
Leishmania major hypothetical protein, conserved 0.0035 0.0386 0.0141
Mycobacterium ulcerans hydrolase 0.0035 0.0386 0.0087
Trypanosoma brucei glucosidase, putative 0.0035 0.0394 0.0624
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.1877 0.3576
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0455 0.0378
Mycobacterium ulcerans hydrolase 0.0035 0.0386 0.0087
Trichomonas vaginalis beta lactamase domain, putative 0.0035 0.0386 0.036
Schistosoma mansoni alpha glucosidase 0.0035 0.0394 0.0393
Loa Loa (eye worm) transcription factor SMAD2 0.0267 0.7514 0.967
Onchocerca volvulus 0.0091 0.2112 0.3935
Trichomonas vaginalis cdc25c, putative 0.0117 0.2913 0.3659
Entamoeba histolytica rodhanase-like domain containing protein 0.0117 0.2913 0.6224
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0732 0.0812
Schistosoma mansoni tar DNA-binding protein 0.0274 0.7718 0.8002
Mycobacterium tuberculosis Conserved protein 0.0035 0.0386 0.0141
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.011 0.0236
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.1324 0.1254
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0459 0.0382
Brugia malayi PHD-finger family protein 0.0027 0.0159 0.0064
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0394 0.0624
Loa Loa (eye worm) hypothetical protein 0.0147 0.3833 0.4933
Schistosoma mansoni hypothetical protein 0.0033 0.0344 0.0341
Loa Loa (eye worm) hypothetical protein 0.0035 0.0386 0.0497
Echinococcus granulosus chromobox protein 1 0.0076 0.1658 0.1591
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0325 0.0418
Mycobacterium tuberculosis Probable reductase 0.0083 0.1877 0.3576
Schistosoma mansoni tar DNA-binding protein 0.0274 0.7718 0.8002
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.1143 0.1155
Brugia malayi Rhodanese-like domain containing protein 0.0117 0.2913 0.3659
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0038 0.0489 0.0494
Entamoeba histolytica metallo-beta-lactamase family protein 0.0035 0.0386 0.0783
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0035 0.0386 0.0605
Echinococcus granulosus GA binding protein alpha chain 0.007 0.1467 0.1398
Echinococcus granulosus chromobox protein 1 0.0076 0.1658 0.1591
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.5165 0.6599
Onchocerca volvulus Glucosylceramidase homolog 0.0181 0.4867 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0035 0.0386 0.036
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0344 0.0266
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.7771 1
Schistosoma mansoni tar DNA-binding protein 0.0274 0.7718 0.8002
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0444 0.0571
Plasmodium falciparum eukaryotic initiation factor 4A 0.0174 0.4667 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0325 0.028
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.7771 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0174 0.4667 0.4624
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.1143 0.1885
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0035 0.0386 0.0497
Entamoeba histolytica alkyl sulfatase, putative 0.0035 0.0386 0.0783
Treponema pallidum ATP-dependent RNA helicase 0.0174 0.4667 1
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1526 0.1849
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0016 0.0021
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0325 0.0418
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.4867 0.6209
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0444 0.0275
Brugia malayi glutathione reductase 0.0037 0.0444 0.0436
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0191 0.5187 0.6627
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0117 0.2913 0.3659
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0035 0.0386 0.0497
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0386 0.036
Schistosoma mansoni bromodomain containing protein 0.0069 0.1444 0.1484
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0394 0.0371
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0394 0.0317
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0274 0.7718 0.9931
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0035 0.0386 0.5
Echinococcus multilocularis zinc phosphodiesterase 0.0035 0.0386 0.0308
Loa Loa (eye worm) MH2 domain-containing protein 0.0267 0.7514 0.967
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0251 0.0184
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.2545 0.3178
Entamoeba histolytica alkyl sulfatase, putative 0.0035 0.0386 0.0783
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0325 0.0695
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0386 0.036
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0191 0.5187 0.6674
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0035 0.0386 0.0384
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0325 0.0471
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0035 0.0386 0.0827
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.015 0.3931 0.8305
Onchocerca volvulus Putative hydrolase PNKD 0.0035 0.0386 0.0135
Echinococcus granulosus geminin 0.0337 0.9641 0.9638
Brugia malayi Thioredoxin reductase 0.0037 0.0444 0.0436
Echinococcus granulosus lysosomal alpha glucosidase 0.0157 0.4144 0.4097
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0035 0.0386 0.0497
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0174 0.4667 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.5187 0.5148
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0325 0.0418
Mycobacterium leprae POSSIBLE HYDROLASE 0.0035 0.0386 0.0334
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0124 0.313 0.3075
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0117 0.2913 0.3659
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.4144 0.4097
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0035 0.0386 0.0141
Trichomonas vaginalis chromobox protein, putative 0.0076 0.1658 0.2021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0386 0.0497
Loa Loa (eye worm) hypothetical protein 0.0043 0.0633 0.0814
Schistosoma mansoni pyruvate kinase 0.0033 0.0325 0.0321
Loa Loa (eye worm) hypothetical protein 0.0077 0.1693 0.2179
Schistosoma mansoni ets-related 0.0212 0.5828 0.6038
Mycobacterium ulcerans Zn-dependent glyoxylase 0.0035 0.0386 0.0087
Toxoplasma gondii thioredoxin reductase 0.0037 0.0444 0.0733
Loa Loa (eye worm) glutaminase 2 0.0264 0.741 0.9535
Mycobacterium tuberculosis Possible hydrolase 0.0035 0.0386 0.0141
Schistosoma mansoni alpha-glucosidase 0.0135 0.3473 0.3591
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0394 0.0317
Echinococcus multilocularis pyruvate kinase 0.0033 0.0325 0.0247
Schistosoma mansoni hypothetical protein 0.0035 0.0386 0.0384
Schistosoma mansoni gabp alpha 0.007 0.1467 0.1507
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.1277 0.1311
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0174 0.4667 0.4624
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0394 0.0371
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.1277 0.2562
Plasmodium vivax RNA helicase-1, putative 0.0174 0.4667 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0344 0.0266
Schistosoma mansoni chromobox protein 0.0076 0.1658 0.1706
Loa Loa (eye worm) hypothetical protein 0.0051 0.0888 0.1142
Loa Loa (eye worm) hypothetical protein 0.0047 0.0753 0.0969
Echinococcus multilocularis pyruvate kinase 0.0033 0.0325 0.0247
Mycobacterium ulcerans glutaminase 0.0264 0.741 1
Echinococcus granulosus zinc phosphodiesterase 0.0035 0.0386 0.0308
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0035 0.0386 0.0308
Mycobacterium leprae Beta-lactamase-like protein 0.0035 0.0386 0.0334
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0035 0.0386 0.036
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.1324 0.1254
Trypanosoma cruzi glyoxalase II 0.0035 0.0386 0.0827
Schistosoma mansoni chromobox protein 0.0076 0.1658 0.1706
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0394 0.0371
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.4867 0.6209
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0455 0.0378
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0325 0.0695
Mycobacterium ulcerans beta lactamase-like protein 0.0035 0.0386 0.0087
Brugia malayi Glycosyl hydrolases family 31 protein 0.0157 0.4144 0.5265
Schistosoma mansoni tar DNA-binding protein 0.0274 0.7718 0.8002
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0633 0.0682
Loa Loa (eye worm) hypothetical protein 0.0033 0.0325 0.0418
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0035 0.0386 0.0783
Onchocerca volvulus 0.0117 0.2913 0.5698
Mycobacterium tuberculosis Conserved hypothetical protein 0.0035 0.0386 0.0141
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0325 0.028
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.4867 0.6209
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0117 0.2913 0.2856
Brugia malayi eukaryotic initiation factor 4A 0.0174 0.4667 0.5948
Mycobacterium tuberculosis Conserved protein 0.0035 0.0386 0.0141
Mycobacterium ulcerans hypothetical protein 0.0035 0.0386 0.0087
Schistosoma mansoni hypothetical protein 0.0072 0.1526 0.1569
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.5165 0.6599
Loa Loa (eye worm) hypothetical protein 0.0023 0.0022 0.0028
Schistosoma mansoni zinc phosphodiesterase 0.0035 0.0386 0.0384
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.1277 0.1644
Loa Loa (eye worm) RNA binding protein 0.0274 0.7718 0.9931
Schistosoma mansoni hypothetical protein 0.0035 0.0386 0.0384
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0386 0.0334
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.4867 0.6209
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.2162 0.4231
Echinococcus multilocularis chromobox protein 1 0.0076 0.1658 0.1591
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0528 0.0452
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.5187 0.5148
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0276 0.7771 1
Brugia malayi Ets-domain containing protein 0.007 0.1467 0.1771
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0633 0.0682
Echinococcus granulosus tar DNA binding protein 0.0274 0.7718 0.7699
Schistosoma mansoni hypothetical protein 0.0337 0.9641 1
Plasmodium vivax glutathione reductase, putative 0.0037 0.0444 0.0275
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0325 0.0471
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0386 0.036
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0035 0.0386 0.0827
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0083 0.1877 0.845
Loa Loa (eye worm) hypothetical protein 0.0033 0.035 0.0451
Mycobacterium ulcerans hypothetical protein 0.0035 0.0386 0.0087
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.1877 0.3576
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0174 0.4667 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0444 0.0275
Echinococcus granulosus pyruvate kinase 0.0033 0.0325 0.0247
Onchocerca volvulus 0.0035 0.0386 0.0135
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0325 0.028
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0394 0.0371
Trichomonas vaginalis chromobox protein, putative 0.0076 0.1658 0.2021
Loa Loa (eye worm) hypothetical protein 0.0117 0.2913 0.3748
Loa Loa (eye worm) hypothetical protein 0.0045 0.0689 0.0887
Trichomonas vaginalis A-type flavoprotein 0.0035 0.0386 0.036
Trichomonas vaginalis beta lactamase domain, putative 0.0035 0.0386 0.036
Mycobacterium tuberculosis Conserved protein 0.0035 0.0386 0.0141
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0157 0.4144 0.5332
Echinococcus granulosus eukaryotic initiation factor 4A 0.0174 0.4667 0.4624
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0035 0.0386 0.0141
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0035 0.0386 0.0308
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0035 0.0386 0.0605
Trichomonas vaginalis beta lactamase domain, putative 0.0035 0.0386 0.036
Onchocerca volvulus 0.0117 0.2913 0.5698
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0035 0.0386 0.0827
Loa Loa (eye worm) hypothetical protein 0.0105 0.2545 0.3275
Brugia malayi glutaminase DH11.1 0.0264 0.741 0.9529
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0035 0.0386 0.0783
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0344 0.0266
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0394 0.0371
Onchocerca volvulus 0.0117 0.2913 0.5698
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0035 0.0386 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.5187 0.5148
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0344 0.0443
Trichomonas vaginalis cdc25b, putative 0.0117 0.2913 0.3659
Entamoeba histolytica hypothetical protein, conserved 0.0035 0.0386 0.0783
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0386 0.036
Brugia malayi metallo-beta-lactamase superfamily protein 0.0035 0.0386 0.036
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.1143 0.1885
Loa Loa (eye worm) fli-1 protein 0.0212 0.5828 0.7499
Mycobacterium ulcerans lipoprotein LpqF 0.0072 0.1536 0.171
Entamoeba histolytica type A flavoprotein, putative 0.0035 0.0386 0.0783
Mycobacterium tuberculosis Conserved hypothetical protein 0.0035 0.0386 0.0141
Schistosoma mansoni pyruvate kinase 0.0033 0.0325 0.0321
Brugia malayi RNA binding protein 0.0274 0.7718 0.993
Mycobacterium ulcerans hypothetical protein 0.0035 0.0386 0.0087
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0174 0.4667 0.956
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0386 0.036
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0035 0.0386 0.0827
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0528 0.0452
Brugia malayi Heterochromatin protein 1 0.0076 0.1658 0.2021
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.1143 0.1072
Loa Loa (eye worm) hypothetical protein 0.0033 0.0344 0.0443
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0174 0.4667 0.5948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.5187 0.5148
Trypanosoma brucei trypanothione reductase 0.0037 0.0444 0.0733
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.4867 0.6209
Schistosoma mansoni hypothetical protein 0.0337 0.9641 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.015 0.3931 0.509
Trichomonas vaginalis apoptosis inducing factor, putative 0.0038 0.0489 0.0494
Echinococcus granulosus serine protein kinase ATM 0.0026 0.011 0.003
Schistosoma mansoni hypothetical protein 0.0033 0.0344 0.0341
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0344 0.0305
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0394 0.0371
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0174 0.4667 1
Brugia malayi Fli-1 protein 0.0212 0.5828 0.7463
Mycobacterium tuberculosis Beta lactamase like protein 0.0035 0.0386 0.0141
Mycobacterium tuberculosis Conserved hypothetical protein 0.0035 0.0386 0.0141
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0117 0.2913 0.301
Trypanosoma brucei glyoxalase II 0.0035 0.0386 0.0605
Brugia malayi Rhodanese-like domain containing protein 0.0117 0.2913 0.3659
Loa Loa (eye worm) TAR-binding protein 0.0274 0.7718 0.9931
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.1877 0.3576
Brugia malayi chromobox protein homolog 3 0.0043 0.0633 0.0682
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.7771 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0022 0.0028
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0394 0.0801
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0394 0.0371
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0394 0.0371
Trypanosoma brucei beta lactamase 0.0072 0.1536 0.3129
Loa Loa (eye worm) hypothetical protein 0.0035 0.0386 0.0497
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0394 0.0845
Plasmodium falciparum thioredoxin reductase 0.0037 0.0444 0.0275
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0325 0.028
Entamoeba histolytica metallo-beta-lactamase family protein 0.0035 0.0386 0.0783
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0026 0.011 0.0098
Brugia malayi TAR-binding protein 0.0274 0.7718 0.993
Onchocerca volvulus 0.0035 0.0386 0.0135
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0035 0.0386 0.0308
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0035 0.0386 0.0605
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.1143 0.1171
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0035 0.0386 0.0827
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0888 0.0906
Schistosoma mansoni hypothetical protein 0.0035 0.0386 0.0384
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.1658 0.2133
Trypanosoma cruzi glyoxalase II 0.0035 0.0386 0.0827
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0072 0.1536 0.279
Loa Loa (eye worm) hypothetical protein 0.0072 0.1526 0.1964
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.7771 1
Trichomonas vaginalis beta lactamase domain, putative 0.0035 0.0386 0.036
Brugia malayi hypothetical protein 0.0147 0.3833 0.486
Plasmodium falciparum cytosolic glyoxalase II 0.0035 0.0386 0.0141
Loa Loa (eye worm) hypothetical protein 0.0042 0.061 0.0785
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0035 0.0386 0.0605
Brugia malayi hypothetical protein 0.0035 0.0386 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.5187 0.5372
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0276 0.7771 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0325 0.0471
Echinococcus multilocularis GPCR, family 2 0.0033 0.0344 0.0266
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0174 0.4667 0.4832
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.5187 0.5372
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0386 0.036
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0174 0.4667 1
Schistosoma mansoni lipoxygenase 0.0124 0.313 0.3236
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0344 0.0305
Mycobacterium tuberculosis Possible hydrolase 0.0035 0.0386 0.0141
Mycobacterium ulcerans glyoxalase II, GloB 0.0035 0.0386 0.0087
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.1277 0.1524
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.4867 0.6209
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.4867 0.6209
Leishmania major eukaryotic initiation factor 4a, putative 0.0174 0.4667 1
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0035 0.0386 0.0827
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.2545 0.3275
Chlamydia trachomatis ribonuclease Z 0.0035 0.0386 1
Trichomonas vaginalis cdc25b, putative 0.0117 0.2913 0.3659
Onchocerca volvulus 0.0033 0.035 0.0057
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.4144 0.4097
Schistosoma mansoni zinc phosphodiesterase 0.0035 0.0386 0.0384
Echinococcus granulosus pyruvate kinase 0.0033 0.0325 0.0247
Entamoeba histolytica rodhanase-like domain containing protein 0.0117 0.2913 0.6224
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0459 0.0382
Loa Loa (eye worm) hypothetical protein 0.0108 0.2633 0.3388
Entamoeba histolytica rodhanase-like domain containing protein 0.0117 0.2913 0.6224
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0444 0.0951
Entamoeba histolytica metallo-beta-lactamase family protein 0.0035 0.0386 0.0783
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.1877 0.3576

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.5 ug ml-1 Inhibition of HIV-1 replication in H9 (human lymphoma) cells. ChEMBL. No reference
IC50 (functional) = 40 ug ml-1 Inhibition of uninfected H9 lymphocytic cell growth ChEMBL. No reference
IC50 (functional) = 40 ug ml-1 Inhibition of uninfected H9 lymphocytic cell growth ChEMBL. No reference
Therapeutic index (functional) = 6.2 Therapeutic index - IC50/EC50. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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