Detailed information for compound 156790

Basic information

Technical information
  • TDR Targets ID: 156790
  • Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5 -(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methox yoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(4 -hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxa mide
  • MW: 530.482 | Formula: C21H30N4O12
  • H donors: 7 H acceptors: 8 LogP: -4.28 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 3
  • SMILES: OCCCCNC(=O)C1=C[C@@H]([C@@H]([C@H](O1)O[C@H]([C@H]1O[C@H]([C@@H]([C@@H]1OC)O)n1ccc(=O)[nH]c1=O)C(=O)N)O)O
  • InChi: 1S/C21H30N4O12/c1-34-14-13(30)19(25-6-4-11(28)24-21(25)33)36-15(14)16(17(22)31)37-20-12(29)9(27)8-10(35-20)18(32)23-5-2-3-7-26/h4,6,8-9,12-16,19-20,26-27,29-30H,2-3,5,7H2,1H3,(H2,22,31)(H,23,32)(H,24,28,33)/t9-,12-,13+,14-,15-,16+,19+,20+/m0/s1
  • InChiKey: WCWSEGYDLJNITC-SUWLUJSASA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-N-(4-hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-3,4-dihydroxy-N-(4-hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-azanyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-N-(4-hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-3,4-dihydroxy-N-(4-hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-4,5-dihydroxy-N-(4-hydroxybutyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-(4-hydroxybutyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-4,5-dihydroxy-N-(4-hydroxybutyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-4,5-dihydroxy-N-(4-hydroxybutyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-(4-hydroxybutyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • AIDS189125
  • (4S,5S,6S)-6-{(R)-1-Carbamoyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid (4-hydroxy-butyl)-amide
  • AIDS-189125

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli phospho-N-acetylmuramoyl-pentapeptide transferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
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) acetylcholinesterase 1 0.0136 0.1239 0.3526
Loa Loa (eye worm) hypothetical protein 0.0115 0.099 0.2817
Toxoplasma gondii histone deacetylase HDAC3 0.0334 0.3515 1
Brugia malayi beta-lactamase family protein 0.0035 0.0067 0.0192
Brugia malayi Histone deacetylase family protein 0.0237 0.2405 0.6842
Loa Loa (eye worm) hypothetical protein 0.0035 0.0067 0.0192
Trichomonas vaginalis set domain proteins, putative 0.0229 0.2305 0.649
Brugia malayi beta-lactamase 0.0035 0.0067 0.0192
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.01 0.0285
Loa Loa (eye worm) hypothetical protein 0.0109 0.0921 0.2621
Toxoplasma gondii LsmAD domain-containing protein 0.0073 0.0513 0.1459
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0067 0.0023
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.007 0.0199
Schistosoma mansoni histone deacetylase hda2 0.0243 0.2474 0.6996
Echinococcus multilocularis acetylcholinesterase 0.0136 0.1239 0.1373
Schistosoma mansoni inositol monophosphatase 0.0037 0.0089 0.0252
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0069 0.0005
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.236 0.6715
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0069 0.0196
Loa Loa (eye worm) hypothetical protein 0.0129 0.115 0.3271
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0067 0.0191
Plasmodium vivax histone deacetylase 1, putative 0.0334 0.3515 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0089 0.0063
Echinococcus multilocularis histone deacetylase 8 0.0129 0.115 0.1274
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0157 0.1481 0.4214
Echinococcus multilocularis histone deacetylase 0.0237 0.2405 0.2664
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.01 0.0283
Echinococcus multilocularis histone deacetylase 6 0.0237 0.2405 0.2664
Loa Loa (eye worm) hypothetical protein 0.0035 0.0067 0.0192
Trypanosoma brucei histone deacetylase 1 0.0334 0.3515 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0361 0.0296
Schistosoma mansoni histone deacetylase 0.0334 0.3515 0.9941
Giardia lamblia Histone deacetylase 0.0334 0.3515 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0069 0.0005
Leishmania major histone deacetylase, putative 0.0334 0.3515 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0069 0.0195
Echinococcus granulosus histone deacetylase 6 0.0237 0.2405 0.6801
Brugia malayi Histone deacetylase family protein 0.0237 0.2405 0.6842
Trypanosoma brucei histone deacetylase 3 0.0237 0.2405 0.678
Schistosoma mansoni histone deacetylase 0.0334 0.3515 0.9941
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0131 0.0145
Toxoplasma gondii ABC1 family protein 0.0035 0.0067 0.0192
Trichomonas vaginalis histone deacetylase, putative 0.0334 0.3515 1
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0038 0.01 0.0095
Plasmodium vivax histone deacetylase 2, putative 0.0237 0.2405 0.6842
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0759 0.0841
Trypanosoma cruzi histone deacetylase, putative 0.0237 0.2405 0.678
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0067 0.0023
Trypanosoma cruzi histone deacetylase, putative 0.0237 0.2405 0.678
Echinococcus granulosus histone deacetylase 6 0.0237 0.2405 0.6801
Leishmania major histone deacetylase, putative 0.0237 0.2405 0.678
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0535 0.1512
Leishmania major hypothetical protein, conserved 0.0073 0.0513 0.1292
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0341 0.3594 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0069 0.0005
Brugia malayi beta-lactamase family protein 0.0035 0.0067 0.0192
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0038 0.01 0.0033
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0361 0.04
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0089 0.0063
Onchocerca volvulus 0.0035 0.0067 0.0292
Mycobacterium tuberculosis Conserved protein 0.0035 0.0067 0.0023
Brugia malayi jmjC domain containing protein 0.0095 0.0759 0.216
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0089 0.0099
Schistosoma mansoni histone deacetylase hda2 0.0129 0.115 0.3252
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.007 0.0199
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0089 0.0063
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.01 0.0095
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0038 0.01 0.0285
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0069 0.0005
Schistosoma mansoni histone deacetylase 4 5 0.0237 0.2405 0.6801
Trypanosoma brucei glucosidase, putative 0.0035 0.0069 0.0005
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0334 0.3515 1
Brugia malayi Carboxylesterase family protein 0.0136 0.1239 0.3526
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0033 0.0046 0.013
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0069 0.0196
Loa Loa (eye worm) hypothetical protein 0.0035 0.0067 0.0192
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0069 0.0005
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0067 0.0023
Trypanosoma cruzi PAB1-binding protein , putative 0.0073 0.0513 0.1292
Schistosoma mansoni hypothetical protein 0.0336 0.3536 1
Echinococcus multilocularis histone deacetylase 1 0.0334 0.3515 0.3894
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0069 0.0005
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.01 0.0095
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0067 0.0192
Trichomonas vaginalis histone deacetylase, putative 0.0334 0.3515 1
Loa Loa (eye worm) histone deacetylase 3 0.0334 0.3515 1
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0038 0.01 0.0285
Echinococcus multilocularis muscleblind protein 0.0146 0.1355 0.1501
Plasmodium vivax ataxin-2 like protein, putative 0.0073 0.0513 0.1459
Echinococcus granulosus histone deacetylase 7 0.0237 0.2405 0.6801
Brugia malayi Pre-SET motif family protein 0.0201 0.1985 0.5646
Loa Loa (eye worm) hypothetical protein 0.0038 0.01 0.0285
Leishmania major histone deacetylase, putative 0.0237 0.2405 0.678
Loa Loa (eye worm) hypothetical protein 0.0146 0.1355 0.3854
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0038 0.01 0.0283
Toxoplasma gondii histone deacetylase HDAC2 0.0334 0.3515 1
Echinococcus granulosus histone deacetylase 1 0.0334 0.3515 0.9941
Echinococcus granulosus muscleblind protein 0.0146 0.1355 0.3832
Brugia malayi Histone deacetylase 1 0.0334 0.3515 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 1 1
Echinococcus multilocularis histone deacetylase 6 0.0243 0.2474 0.274
Echinococcus granulosus histone deacetylase 6 0.0243 0.2474 0.6996
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0341 0.3594 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0334 0.3515 1
Echinococcus multilocularis muscleblind protein 1 0.0146 0.1355 0.1501
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0069 0.0005
Echinococcus multilocularis histone deacetylase 6 0.0237 0.2405 0.2664
Mycobacterium leprae Probable lipase LipE 0.0035 0.0067 0.0023
Echinococcus granulosus acetylcholinesterase 0.0136 0.1239 0.3505
Plasmodium falciparum ataxin-2 like protein, putative 0.0073 0.0513 0.1459
Brugia malayi histone deacetylase 11 0.0129 0.115 0.3271
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0033 0.0046 0.0051
Schistosoma mansoni hypothetical protein 0.0336 0.3536 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0136 0.1239 0.3505
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0067 0.0023
Trichomonas vaginalis histone deacetylase, putative 0.0334 0.3515 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0038 0.01 0.0111
Loa Loa (eye worm) hypothetical protein 0.0035 0.0067 0.0192
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Echinococcus multilocularis geminin 0.0336 0.3536 0.3917
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0812 0.9026 1
Trypanosoma brucei histone deacetylase, putative 0.0237 0.2405 0.678
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.01 0.009
Onchocerca volvulus 0.0035 0.0067 0.0292
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0067 0.0023
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0038 0.01 0.0285
Loa Loa (eye worm) histone deacetylase 11 0.0129 0.115 0.3271
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0069 0.0195
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1481 0.1641
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0089 0.0253
Trichomonas vaginalis histone deacetylase, putative 0.0334 0.3515 1
Echinococcus granulosus acetylcholinesterase 0.0136 0.1239 0.3505
Schistosoma mansoni hypothetical protein 0.0033 0.0046 0.013
Loa Loa (eye worm) hypothetical protein 0.0146 0.1355 0.3854
Plasmodium falciparum histone deacetylase, putative 0.0237 0.2405 0.6842
Trichomonas vaginalis histone deacetylase, putative 0.0334 0.3515 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0129 0.115 0.4988
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0067 0.0075
Brugia malayi histone deacetylase 3 (HD3) 0.0334 0.3515 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0334 0.3515 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.1239 0.3526
Loa Loa (eye worm) carboxylesterase 0.0136 0.1239 0.3526
Onchocerca volvulus 0.0091 0.0716 0.3106
Brugia malayi MH2 domain containing protein 0.0234 0.236 0.6715
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0361 0.1022
Schistosoma mansoni inositol monophosphatase 0.0037 0.0089 0.0252
Mycobacterium tuberculosis Conserved protein 0.0035 0.0067 0.0023
Loa Loa (eye worm) inositol-1 0.0037 0.0089 0.0253
Plasmodium falciparum histone deacetylase 2 0.0237 0.2405 0.6842
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0361 0.1022
Schistosoma mansoni histone deacetylase 1 2 3 0.0129 0.115 0.3252
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0067 0.0023
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0069 0.0005
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0089 0.0063
Brugia malayi jmjC domain containing protein 0.0035 0.007 0.02
Echinococcus granulosus jumonji domain containing protein 0.004 0.0131 0.037
Loa Loa (eye worm) hypothetical protein 0.0334 0.3515 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0361 0.1028
Trypanosoma cruzi histone deacetylase, putative 0.0129 0.115 0.314
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0759 0.2147
Schistosoma mansoni histone deacetylase 4 5 0.0237 0.2405 0.6801
Echinococcus granulosus lysosomal alpha glucosidase 0.0157 0.1481 0.4189
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0069 0.0005
Entamoeba histolytica histone deacetylase, putative 0.0334 0.3515 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.2229 0.2194
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0361 0.1022
Onchocerca volvulus 0.0038 0.01 0.0435
Plasmodium vivax histone deacetylase, putative 0.0129 0.115 0.3271
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0069 0.0005
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0089 0.0063
Schistosoma mansoni alpha-glucosidase 0.0135 0.1228 0.3474
Loa Loa (eye worm) hypothetical protein 0.0073 0.0513 0.1459
Trypanosoma cruzi histone deacetylase 1, putative 0.0334 0.3515 1
Trypanosoma cruzi histone deacetylase, putative 0.0129 0.115 0.314
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.01 0.0283
Loa Loa (eye worm) beta-lactamase 0.0035 0.0067 0.0192
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0069 0.0005
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0069 0.0005
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0089 0.0063
Echinococcus granulosus histone deacetylase 3 0.0334 0.3515 0.9941
Trypanosoma brucei PAB1-binding protein , putative 0.0073 0.0513 0.1292
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.01 0.0095
Leishmania major histone deacetylase, putative 0.0334 0.3515 1
Echinococcus multilocularis carboxylesterase 5A 0.0136 0.1239 0.1373
Echinococcus granulosus histone deacetylase 8 0.0129 0.115 0.3252
Brugia malayi Glycosyl hydrolases family 31 protein 0.0157 0.1481 0.4214
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0069 0.0196
Loa Loa (eye worm) hypothetical protein 0.0035 0.0067 0.0192
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1481 0.1641
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0067 0.0192
Plasmodium falciparum histone deacetylase 1 0.0334 0.3515 1
Brugia malayi hypothetical protein 0.0047 0.0213 0.0605
Toxoplasma gondii histone deacetylase HDAC4 0.0129 0.115 0.3271
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0361 0.0296
Loa Loa (eye worm) histone deacetylase 0.0237 0.2405 0.6842
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.007 0.0078
Toxoplasma gondii histone deacetylase HDAC1 0.0237 0.2405 0.6842
Trypanosoma cruzi histone deacetylase, putative 0.0237 0.2405 0.678
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0067 0.0191
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0067 0.0023
Loa Loa (eye worm) hypothetical protein 0.0035 0.0067 0.0192
Onchocerca volvulus 0.0035 0.0067 0.0292
Echinococcus multilocularis acetylcholinesterase 0.0136 0.1239 0.1373
Trichomonas vaginalis histone deacetylase, putative 0.0334 0.3515 1
Echinococcus granulosus geminin 0.0336 0.3536 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0067 0.0023
Loa Loa (eye worm) hypothetical protein 0.0136 0.1239 0.3526
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0067 0.0191
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0067 0.0192
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0361 0.0318
Loa Loa (eye worm) histone deacetylase 7A 0.0237 0.2405 0.6842
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0089 0.0252
Brugia malayi Carboxylesterase family protein 0.0136 0.1239 0.3526
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.1985 0.5646
Loa Loa (eye worm) hypothetical protein 0.005 0.0238 0.0678
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.01 0.0285
Echinococcus granulosus carboxylesterase 5A 0.0136 0.1239 0.3505
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0069 0.0077
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.236 0.6715
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0334 0.3515 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0355 0.1011
Echinococcus granulosus histone deacetylase 0.0237 0.2405 0.6801
Plasmodium falciparum ataxin-2 like protein, putative 0.0073 0.0513 0.1459
Trypanosoma cruzi PAB1-binding protein , putative 0.0073 0.0513 0.1292
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.007 0.02
Schistosoma mansoni alpha-glucosidase 0.0135 0.1228 0.3474
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0361 0.0296
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0089 0.0058
Onchocerca volvulus 0.0229 0.2305 1
Brugia malayi Muscleblind-like protein 0.0146 0.1355 0.3854
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.01 0.0095
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0089 0.0063
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0334 0.3515 1
Brugia malayi histone deacetylase 1 (HD1) 0.0334 0.3515 1
Brugia malayi hypothetical protein 0.0073 0.0513 0.1459
Trypanosoma brucei histone deacetylase 2 0.0129 0.115 0.314
Plasmodium vivax histone deacetylase, putative 0.0237 0.2405 0.6842
Toxoplasma gondii histone deacetylase HDAC5 0.0129 0.115 0.3271
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.007 0.0199
Brugia malayi Inositol-1 0.0037 0.0089 0.0253
Echinococcus multilocularis histone deacetylase 3 0.0334 0.3515 0.3894
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0067 0.0023
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0361 0.0852
Echinococcus multilocularis histone deacetylase 7 0.0237 0.2405 0.2664
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0089 0.0022
Trypanosoma brucei histone deacetylase 4 0.0237 0.2405 0.678

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 170 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) = 170 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) > 100 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) ChEMBL. 14611838

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

1 literature reference was collected for this gene.

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