Detailed information for compound 1568016

Basic information

Technical information
  • TDR Targets ID: 1568016
  • Name: (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino )cyclohex-4-ene-1,2,3-triol hydrochloride
  • MW: 323.856 | Formula: C15H30ClNO4
  • H donors: 5 H acceptors: 4 LogP: 1.61 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCN[C@@H]1C=C(CO)[C@@H]([C@@H]([C@H]1O)O)O.Cl
  • InChi: 1S/C15H29NO4.ClH/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19;/h9,12-20H,2-8,10H2,1H3;1H/t12-,13+,14+,15+;/m1./s1
  • InChiKey: MPYFYLDLOZTRGL-SJFOYXCYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,2S,3S,6R)-4-methylol-6-(octylamino)cyclohex-4-ene-1,2,3-triol hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Beta-galactosidase Starlite/ChEMBL References
Coffea arabica Alpha-galactosidase Starlite/ChEMBL References
Homo sapiens galactosidase, beta 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus beta galactosidase Get druggable targets OG5_128163 All targets in OG5_128163
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis beta galactosidase Get druggable targets OG5_128163 All targets in OG5_128163
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Beta-galactosidase precursor, putative Get druggable targets OG5_128163 All targets in OG5_128163
Schistosoma mansoni beta-galactosidase Get druggable targets OG5_128163 All targets in OG5_128163
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01190 beta-galactosidase [EC3.2.1.23], putative Get druggable targets OG5_128163 All targets in OG5_128163
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128163 All targets in OG5_128163
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128163 All targets in OG5_128163
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Alpha-galactosidase   378 aa 363 aa 39.1 %
Toxoplasma gondii Alpha-galactosidase Alpha-galactosidase   378 aa 363 aa 29.2 %
Neospora caninum alpha-galactosidase A, putative Alpha-galactosidase   378 aa 346 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major DNA polymerase kappa, putative 0.002 0.008 0.4505
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0021 0.0113 0.0794
Entamoeba histolytica hypothetical protein 0.0036 0.0423 0.2156
Brugia malayi amine oxidase, flavin-containing family protein 0.0021 0.0113 0.0227
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0238 0.0238
Leishmania major DNA polymerase eta, putative 0.002 0.008 0.4505
Brugia malayi hypothetical protein 0.024 0.4544 0.9103
Brugia malayi intermediate filament protein 0.0027 0.0238 0.0477
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0113 0.0794
Schistosoma mansoni lamin 0.0027 0.0238 0.0441
Echinococcus granulosus lamin 0.0027 0.0238 0.0359
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0048 0.4208
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.007 0.007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0255 0.0385
Trypanosoma brucei cytochrome P450, putative 0.0016 0.0009 0.0431
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0255 0.0385
Mycobacterium ulcerans oxidoreductase 0.0021 0.0113 0.018
Schistosoma mansoni amine oxidase 0.0021 0.0113 0.021
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0892 0.0892
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0097 0.1658 0.3075
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.008 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0255 0.0511
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0006 0.0009
Echinococcus multilocularis musashi 0.0027 0.0238 0.0359
Brugia malayi ecdysteroid receptor 0.0028 0.0255 0.0511
Loa Loa (eye worm) hypothetical protein 0.0282 0.5393 0.5393
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.008 0.0098
Echinococcus multilocularis beta galactosidase 0.0282 0.5393 0.8136
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.3354 0.6672
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.008 0.0098
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.007 0.0491
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.008 0.0121
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0171 0.028
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0097 0.1658 0.3075
Plasmodium falciparum protoporphyrinogen oxidase 0.0021 0.0113 0.0794
Toxoplasma gondii exonuclease III APE 0.0019 0.007 0.0423
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0021 0.0113 0.0794
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.0255 0.0805
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0255 0.0511
Loa Loa (eye worm) hypothetical protein 0.0024 0.0171 0.0171
Entamoeba histolytica hypothetical protein 0.0036 0.0423 0.2156
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.008 0.0121
Schistosoma mansoni cellular tumor antigen P53 0.005 0.07 0.1298
Toxoplasma gondii histone lysine-specific demethylase 0.0021 0.0113 0.0684
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0255 0.0385
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0675 0.1352
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0892 0.1346
Brugia malayi jmjC domain containing protein 0.006 0.0892 0.1788
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3166 0.6291
Onchocerca volvulus 0.0028 0.0255 0.0805
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.007 0.5974
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.008 0.0062
Loa Loa (eye worm) hypothetical protein 0.0092 0.1547 0.1547
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0255 0.0511
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0171 0.0615
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.1707 0.2575
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0006 0.0011
Chlamydia trachomatis protoporphyrinogen oxidase 0.0021 0.0113 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.008 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0423 0.0638
Echinococcus granulosus tumor protein p63 0.0343 0.6628 1
Brugia malayi CHE-14 protein 0.0043 0.0552 0.1106
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.4991 1
Schistosoma mansoni hypothetical protein 0.0172 0.3166 0.5871
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0255 0.0511
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.008 0.0149
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0552 0.0833
Echinococcus granulosus dna polymerase kappa 0.002 0.008 0.0121
Brugia malayi Melibiase family protein 0.0097 0.1658 0.3322
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0552 0.0833
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0006 0.0009
Schistosoma mansoni hypothetical protein 0.0041 0.0521 0.0966
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0255 0.0385
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0006 0.0009
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0171 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.007 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0255 0.0473
Echinococcus multilocularis lamin 0.0027 0.0238 0.0359
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0171 0.028
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0097 0.1658 0.2502
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.008 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Schistosoma mansoni patched 1 0.0043 0.0552 0.1024
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0006 0.0006
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0006 0.0042
Echinococcus granulosus lamin dm0 0.0027 0.0238 0.0359
Echinococcus multilocularis geminin 0.0172 0.3166 0.4777
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0892 0.1346
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.3354 0.6672
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0171 0.0268
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.1707 1
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0255 0.0473
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0255 0.0473
Schistosoma mansoni hypothetical protein 0.0041 0.0521 0.0966
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0113 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0006 0.0006
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.008 0.0021
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.008 0.6915
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0006 0.0036
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0255 0.0473
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0255 0.0473
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0006 0.0009
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0255 0.0473
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.1707 0.342
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0423 0.0785
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1738 0.3224
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0006 0.0036
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0097 0.1658 0.3075
Schistosoma mansoni DNA polymerase eta 0.002 0.008 0.0149
Onchocerca volvulus 0.0049 0.0675 0.2132
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0255 0.0473
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0113 0.0171
Toxoplasma gondii melibiase subfamily protein 0.0097 0.1658 1
Mycobacterium ulcerans monoamine oxidase 0.0021 0.0113 0.018
Loa Loa (eye worm) hypothetical protein 0.0018 0.0048 0.0048
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0048 0.0037
Schistosoma mansoni hypothetical protein 0.0052 0.0747 0.1384
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0021 0.0113 0.021
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.007 0.3892
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0021 0.0113 0.0794
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.007 0.0106
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0092 0.1547 0.2869
Brugia malayi jmjC domain containing protein 0.0016 0.0006 0.0012
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0171 0.0268
Echinococcus granulosus dna polymerase eta 0.002 0.008 0.0121
Echinococcus multilocularis protein dispatched 1 0.0049 0.0675 0.1018
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.008 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0255 0.0511
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0097 0.1658 0.3075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0255 0.0255
Brugia malayi jmjC domain containing protein 0.0016 0.0006 0.0012
Leishmania major cytochrome p450-like protein 0.0016 0.0009 0.0194
Mycobacterium ulcerans hypothetical protein 0.0024 0.0171 0.028
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0255 0.0511
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0006
Echinococcus granulosus beta galactosidase 0.0282 0.5393 0.8136
Echinococcus multilocularis protoporphyrinogen oxidase 0.0021 0.0113 0.0171
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0238 0.0238
Mycobacterium ulcerans DNA polymerase IV 0.002 0.008 0.0123
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.2575 0.3886
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0255 0.0255
Onchocerca volvulus 0.0027 0.0238 0.0751
Loa Loa (eye worm) hypothetical protein 0.0092 0.1547 0.1547
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0255 0.0511
Echinococcus multilocularis thyroid hormone receptor alpha 0.0028 0.0255 0.0385
Loa Loa (eye worm) hypothetical protein 0.0043 0.0552 0.0552
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0171 1
Echinococcus multilocularis tumor protein p63 0.0343 0.6628 1
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.4991 1
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.3166 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0255 0.0385
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0006 0.0011
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0021 0.0113 0.0171
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0255 0.0473
Mycobacterium ulcerans DNA polymerase IV 0.002 0.008 0.0123
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0113 0.0161
Onchocerca volvulus 0.0021 0.0113 0.0358
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0097 0.1658 0.2502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0097 0.1658 0.1658
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.007 0.5974
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0255 0.0385
Schistosoma mansoni beta-galactosidase 0.0282 0.5393 1
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0255 0.0473
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0006 0.0009
Loa Loa (eye worm) hypothetical protein 0.0027 0.0228 0.0228
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0009 0.0298
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.1707 0.2575
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0255 0.0511
Schistosoma mansoni hypothetical protein 0.0041 0.0521 0.0966
Echinococcus granulosus phd:f box containing protein 0.0016 0.0006 0.0009
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0021 0.0113 0.0684
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3166 0.6291
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0171 0.028
Loa Loa (eye worm) hypothetical protein 0.0018 0.0048 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0113 0.0794
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0423 0.0638
Echinococcus granulosus expressed conserved protein 0.0094 0.1584 0.239
Brugia malayi nuclear receptor NHR-88 0.0028 0.0255 0.0511
Loa Loa (eye worm) hypothetical protein 0.0024 0.0171 0.0171
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0006 0.0009
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0113 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.008 0.0161
Echinococcus granulosus survival motor neuron protein 1 0.024 0.4544 0.6855
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0113 0.0161
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0171 0.028
Leishmania major UDP-galactopyranose mutase 0.0021 0.0113 0.6515
Loa Loa (eye worm) hypothetical protein 0.002 0.008 0.008
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.4991 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0892 0.1655
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0301 0.5786 1
Schistosoma mansoni ap endonuclease 0.0019 0.007 0.013
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0048 0.0048
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.4991 1
Loa Loa (eye worm) serotonin transporter b 0.0092 0.1547 0.1547
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0009 0.0009
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0171 0.028
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0255 0.0385
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0892 0.1346
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0892 0.1346
Echinococcus multilocularis dna polymerase kappa 0.002 0.008 0.0121
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.007 0.0491
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0006 0.0011
Schistosoma mansoni intermediate filament proteins 0.0027 0.0238 0.0441
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.008 0.6915
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.008 0.4505
Echinococcus multilocularis lamin dm0 0.0027 0.0238 0.0359
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0552 0.0979
Loa Loa (eye worm) hypothetical protein 0.01 0.1707 0.1707
Schistosoma mansoni sodium/chloride dependent transporter 0.0092 0.1547 0.2869
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.008 0.6915
Onchocerca volvulus 0.0092 0.1547 0.4887
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.4544 0.6855
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.007 0.8639
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0171 0.0615
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0255 0.0385
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0171 1
Schistosoma mansoni hypothetical protein 0.0036 0.0423 0.0785
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0171 0.0342
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0255 0.0385
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0255 0.0511
Brugia malayi jmjC domain containing protein 0.0016 0.0006 0.0012
Schistosoma mansoni hypothetical protein 0.0049 0.0675 0.1252
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0255 0.0385
Schistosoma mansoni jumonji domain containing protein 0.006 0.0892 0.1655
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0238 0.0477
Loa Loa (eye worm) hypothetical protein 0.0092 0.1547 0.1547
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3166 0.6291
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0255 0.0473
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.008 1
Loa Loa (eye worm) hypothetical protein 0.024 0.4544 0.4544
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0255 0.0473
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0097 0.1658 0.2502
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0021 0.0113 0.018
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0255 0.0385
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0262 0.4991 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0006 0.0006
Brugia malayi Cytochrome P450 family protein 0.0016 0.0009 0.0018
Trypanosoma brucei unspecified product 0.002 0.008 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0675 0.1252
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0048 0.0334
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0255 0.0255
Brugia malayi jmjC domain containing protein 0.0016 0.0006 0.0012
Onchocerca volvulus 0.0024 0.0171 0.054
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0255 0.0511
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.4991 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0092 0.1547 0.31
Loa Loa (eye worm) norepinephrine transporter 0.0092 0.1547 0.1547
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.4991 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.0255 0.0805
Schistosoma mansoni ap endonuclease 0.0019 0.007 0.013
Echinococcus granulosus serotonin transporter 0.0092 0.1547 0.2334
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0255 0.0385
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0171 0.028
Plasmodium vivax hypothetical protein, conserved 0.0086 0.1428 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.008 0.0021
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3166 0.6291
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.008 0.6915
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0552 0.0833
Loa Loa (eye worm) solute carrier family 6 member 4 0.0092 0.1547 0.1547
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0006 0.0011
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.007 0.0106
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0255 0.0511
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Loa Loa (eye worm) hypothetical protein 0.005 0.07 0.07
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0171 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0255 0.0255
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0009 0.0298
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0255 0.0385
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0255 0.0385
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0262 0.4991 0.4991
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.007 0.0106
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0097 0.1658 0.3075
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0255 0.0511
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0006
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0171 0.0615
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0552 0.0552
Brugia malayi hypothetical protein 0.0036 0.0423 0.0848
Schistosoma mansoni hypothetical protein 0.0041 0.0521 0.0966
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3166 0.6291
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0021 0.0113 0.021
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.0255 0.0805
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0006 0.0009
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0301 0.5786 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0171 1
Giardia lamblia DINP protein human, muc B family 0.002 0.008 1
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0255 0.0511
Echinococcus granulosus geminin 0.0172 0.3166 0.4777
Brugia malayi Cytochrome P450 family protein 0.0016 0.0009 0.0018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0255 0.0473
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0255 0.0385
Plasmodium vivax JmjC domain containing protein 0.0016 0.0006 0.0042
Onchocerca volvulus 0.005 0.07 0.2211
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.007 0.0079
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.008 0.008
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0018 0.0048 0.0048
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0892 0.1655
Mycobacterium ulcerans dehydrogenase 0.0021 0.0113 0.018
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.008 0.6915
Echinococcus multilocularis 0.0021 0.0113 0.0171
Brugia malayi SWIRM domain containing protein 0.0021 0.0113 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0255 0.0511
Brugia malayi steroid hormone receptor 0.0028 0.0255 0.0511
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0171 0.028
Onchocerca volvulus 0.0027 0.0238 0.0751
Echinococcus multilocularis dna polymerase eta 0.002 0.008 0.0121
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0048 0.0067
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0171 0.0342
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0006 0.0009
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0113 0.0171
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0006 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0024 0.0171 0.0171
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0086 0.1428 1
Brugia malayi nuclear hormone receptor 0.0028 0.0255 0.0511
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0048 0.0334
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0097 0.1658 0.3227
Treponema pallidum sodium- and chloride- dependent transporter 0.0092 0.1547 1
Echinococcus multilocularis expressed conserved protein 0.0094 0.1584 0.239
Brugia malayi jmjC domain containing protein 0.006 0.0892 0.1788
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3166 0.6291
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0255 0.0511
Loa Loa (eye worm) hypothetical protein 0.0018 0.0048 0.0048
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.008 0.0161
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.028 0.5357 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0171 0.0342
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0255
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0255 0.0385
Echinococcus granulosus intermediate filament protein 0.0027 0.0238 0.0359
Schistosoma mansoni hypothetical protein 0.0172 0.3166 0.5871
Brugia malayi hypothetical protein 0.0021 0.0113 0.0227
Schistosoma mansoni lamin 0.0027 0.0238 0.0441
Entamoeba histolytica hypothetical protein 0.0036 0.0423 0.2156
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.3166 0.6291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0255 0.0255
Echinococcus multilocularis protein patched 0.0043 0.0552 0.0833
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0021 0.0113 0.0794
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.007 0.0141
Loa Loa (eye worm) hypothetical protein 0.0027 0.0238 0.0238
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0006 0.0011
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.2575 0.3886
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0255 0.0255
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0255 0.0385
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0006
Echinococcus multilocularis serotonin transporter 0.0092 0.1547 0.2334
Schistosoma mansoni coup transcription factor 0.0028 0.0255 0.0473
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0255 0.0511
Entamoeba histolytica hypothetical protein 0.0036 0.0423 0.2156
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0097 0.1658 0.3075
Schistosoma mansoni amine oxidase 0.0021 0.0113 0.021
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.008 1

Activities

Activity type Activity value Assay description Source Reference
FC (binding) = 3.6 Activation of human beta-galactosidase R201C mutant expressed in mouse fibroblasts using 4-methylumbelliferone -conugated beta-D-galactoside as substrate at 20 uM preincubated for 48 hrs followed by substrate addition measured after 30 mins by fluorescence analysis relative to control ChEMBL. No reference
FC (binding) = 4.6 Activation of human beta-galactosidase R201C mutant expressed in mouse fibroblasts using 4-methylumbelliferone -conugated beta-D-galactoside as substrate at 2 uM preincubated for 48 hrs followed by substrate addition measured after 30 mins by fluorescence analysis relative to control ChEMBL. No reference
IC50 (binding) > 1 mM Inhibition of human beta-glucosidase isolated from human fibroblasts incubated for 30 mins using 4-methylumbelliferone -conugated beta-D-galactoside as substrate by fluorescence analysis ChEMBL. No reference
IC50 (binding) = 1.7 uM Inhibition of human beta-galactosidase expressed in mouse fibroblasts using 4-methylumbelliferone -conugated beta-D-galactoside as substrate incubated for 30 mins at pH 4.5 followed by substrate addition by fluorescence analysis ChEMBL. No reference
IC50 (binding) = 4.5 uM Inhibition of bovine liver beta-galactosidase by spectrometry ChEMBL. 22001090
IC50 (binding) = 4.5 uM Inhibition of green coffee beans alpha-galactosidase by spectrometry ChEMBL. 22001090
IC50 (binding) = 85 uM Inhibition of Aspergillus oryzae beta-galactosidase by spectrometry ChEMBL. 22001090

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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