Detailed information for compound 1189024

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 676.436 | Formula: C20H26N2O18P2S
  • H donors: 9 H acceptors: 13 LogP: -5.49 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cc(c3ccc(s3)C=O)c(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O
  • InChi: 1S/C20H26N2O18P2S/c23-4-7-1-2-11(43-7)8-3-22(20(31)21-17(8)30)18-15(28)13(26)10(37-18)6-36-41(32,33)40-42(34,35)39-19-16(29)14(27)12(25)9(5-24)38-19/h1-4,9-10,12-16,18-19,24-29H,5-6H2,(H,32,33)(H,34,35)(H,21,30,31)/t9-,10-,12+,13-,14+,15-,16-,18-,19-/m1/s1
  • InChiKey: KKHANSZRQMPJKN-PCGMDOMSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus N-acetyllactosaminide alpha-1,3-galactosyltransferase Starlite/ChEMBL References
Bos taurus Beta-1,4-galactosyltransferase 1 Starlite/ChEMBL No references
Neisseria meningitidis Alpha 1,4 galactosyltransferase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum Beta-1,4-galactosyltransferase 2, putative Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus granulosus Ribosomal protein L34a Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus multilocularis Ribosomal protein L34a Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus granulosus Metazoa galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum ko:K02915 large subunit ribosomal protein L34e, putative Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus multilocularis Metazoa galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Cryptosporidium parvum secreted lipopolysaccharide sugar transferase like family 8 glycosyltransferase Get druggable targets OG5_129537 All targets in OG5_129537
Schistosoma mansoni beta-14-galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum expressed protein Get druggable targets OG5_130585 All targets in OG5_130585
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_129537 All targets in OG5_129537
Brugia malayi Galactosyltransferase family protein Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus multilocularis Metazoa galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma mansoni beta-14-galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum ko:K01805 xylose isomerase [EC5.3.1.5], putative Get druggable targets OG5_130585 All targets in OG5_130585
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Alpha 1,4 galactosyltransferase   310 aa 261 aa 25.3 %
Echinococcus multilocularis glycogenin 1 Alpha 1,4 galactosyltransferase   310 aa 287 aa 21.6 %
Brugia malayi Glycogenin-1 Alpha 1,4 galactosyltransferase   310 aa 256 aa 25.4 %
Loa Loa (eye worm) hypothetical protein Alpha 1,4 galactosyltransferase   310 aa 256 aa 24.6 %
Echinococcus granulosus glycogenin 1 Alpha 1,4 galactosyltransferase   310 aa 287 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0065 0.1009 0.0964
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0069 0.1113 0.2527
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.017 0.0239
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.017 0.0239
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.017 0.0239
Brugia malayi Thioredoxin reductase 0.0094 0.1761 0.4129
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.0431 0.0472
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Plasmodium falciparum thioredoxin reductase 0.0094 0.1761 0.4098
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0188 0.4193 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0188 0.4193 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0322 0.7684 1
Echinococcus multilocularis Metazoa galactosyltransferase 0.0106 0.2079 0.2039
Echinococcus multilocularis Metazoa galactosyltransferase 0.009 0.1652 0.1611
Echinococcus multilocularis dna polymerase eta 0.0071 0.1159 0.1115
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.7684 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.017 0.0239
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0431 0.0871
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0188 0.4193 0.6837
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0069 0.1113 0.2527
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0157 0.3409 0.5505
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.7684 1
Trypanosoma brucei phosphoglycerate kinase 0.0069 0.1113 0.2527
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.017 0.0239
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0043 0.0431 0.0606
Brugia malayi Galactosyltransferase family protein 0.0106 0.2079 0.4897
Echinococcus granulosus Ribosomal protein L34a 0.0078 0.1356 0.1313
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.1009 0.142
Mycobacterium tuberculosis Conserved hypothetical protein 0.0259 0.6055 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0043 0.0431 0.0442
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0188 0.4193 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0188 0.4193 0.5415
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0188 0.4193 0.5415
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0069 0.1113 0.2527
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.017 0.0121
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0088 0.004
Treponema pallidum fructose-bisphosphate aldolase 0.0322 0.7684 1
Onchocerca volvulus 0.0179 0.3975 0.5
Plasmodium vivax glutathione reductase, putative 0.0094 0.1761 0.4098
Plasmodium vivax phosphoglycerate kinase, putative 0.0188 0.4193 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0214 0.4878 0.7034
Loa Loa (eye worm) hypothetical protein 0.004 0.0352 0.0729
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.017 0.0121
Echinococcus multilocularis thioredoxin glutathione reductase 0.0094 0.1775 0.1734
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.017 0.0239
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0188 0.4193 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Schistosoma mansoni phenylalanine decarboxylase 0.0028 0.005 0.007
Trypanosoma brucei DNA polymerase eta, putative 0.0071 0.1159 0.2638
Mycobacterium tuberculosis Probable dehydrogenase 0.0214 0.4878 0.8001
Leishmania major DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0431 0.0647
Leishmania major DNA polymerase eta, putative 0.0041 0.0398 0.0792
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.017 0.0291
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.0398 0.084
Loa Loa (eye worm) thioredoxin reductase 0.0094 0.1761 0.4129
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0826 0.1873
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Brugia malayi jmjC domain containing protein 0.0065 0.1009 0.2314
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0179 0.3975 0.5596
Loa Loa (eye worm) hypothetical protein 0.0188 0.4193 1
Plasmodium falciparum glutathione reductase 0.0033 0.017 0.0239
Echinococcus granulosus flap endonuclease 1 0.0029 0.0072 0.0022
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0069 0.1113 0.2527
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.017 0.0239
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0214 0.4878 0.8001
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0352 0.0729
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Schistosoma mansoni hypothetical protein 0.0196 0.4422 0.6226
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0072 0.0053
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0043 0.0431 0.0383
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0069 0.1113 0.2527
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0072 0.0022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Echinococcus multilocularis phosphoglycerate kinase 1 0.0188 0.4193 0.4164
Brugia malayi Phosphoglycerate kinase 0.0188 0.4193 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.017 0.024
Loa Loa (eye worm) pip kinase 2 0.0179 0.3975 0.9472
Schistosoma mansoni terminal deoxycytidyl transferase 0.0043 0.0431 0.0606
Trypanosoma brucei phosphoglycerate kinase 0.0188 0.4193 1
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0072 0.0053
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0826 0.1873
Leishmania major phosphoglycerate kinase C, glycosomal 0.0188 0.4193 1
Trypanosoma brucei unspecified product 0.0029 0.0088 0.004
Echinococcus granulosus thioredoxin glutathione reductase 0.0094 0.1775 0.1734
Echinococcus multilocularis expressed protein 0.0412 1 1
Loa Loa (eye worm) galactosyltransferase 0.0106 0.2079 0.4897
Trypanosoma cruzi trypanothione reductase, putative 0.0094 0.1761 0.4098
Brugia malayi jmjC domain containing protein 0.0065 0.1009 0.2314
Schistosoma mansoni hypothetical protein 0.0196 0.4422 0.6226
Brugia malayi glutathione reductase 0.0094 0.1761 0.4129
Trypanosoma brucei phosphoglycerate kinase 0.0188 0.4193 1
Schistosoma mansoni phosphoglycerate kinase 0.0188 0.4193 0.5904
Plasmodium falciparum glutathione reductase 0.0094 0.1761 0.4098
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.017 0.013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Giardia lamblia Phosphoglycerate kinase 0.0188 0.4193 0.5415
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0157 0.3409 0.8051
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0238 0.5498 0.9054
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0043 0.0431 0.0871
Schistosoma mansoni hypothetical protein 0.004 0.0352 0.0495
Echinococcus multilocularis geminin 0.0196 0.4422 0.4394
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.017 0.013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0179 0.3975 0.3945
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.017 0.0239
Loa Loa (eye worm) hypothetical protein 0.0179 0.3975 0.9472
Schistosoma mansoni beta-14-galactosyltransferase 0.0106 0.2079 0.2927
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.1009 0.142
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.017 0.0239
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0179 0.3975 0.5596
Mycobacterium tuberculosis Probable reductase 0.0214 0.4878 0.8001
Trypanosoma brucei trypanothione reductase 0.0094 0.1761 0.4098
Schistosoma mansoni beta-14-galactosyltransferase 0.0028 0.005 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0088 0.004
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0043 0.0431 0.0919
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0398 0.0792
Chlamydia trachomatis phosphoglycerate kinase 0.0188 0.4193 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.017 0.0239
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0043 0.0431 0.0383
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0431 0.0871
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Loa Loa (eye worm) hypothetical protein 0.0058 0.0826 0.1873
Schistosoma mansoni beta-14-galactosyltransferase 0.0106 0.2079 0.2927
Echinococcus granulosus phosphoglycerate kinase 1 0.0188 0.4193 0.4164
Toxoplasma gondii thioredoxin reductase 0.0094 0.1761 0.4129
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.017 0.0239
Treponema pallidum phosphoglycerate kinase 0.0188 0.4193 0.5354
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0214 0.4878 0.8001
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0069 0.1113 0.2527
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.017 0.013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Loa Loa (eye worm) glutathione reductase 0.0094 0.1761 0.4129
Trypanosoma brucei unspecified product 0.0043 0.0431 0.0871
Echinococcus multilocularis Ribosomal protein L34a 0.0078 0.1356 0.1313
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.017 0.0239
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0238 0.5498 1
Mycobacterium ulcerans phosphoglycerate kinase 0.0188 0.4193 1
Echinococcus multilocularis dna polymerase kappa 0.0043 0.0431 0.0383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.0431 0.0472
Schistosoma mansoni DNA polymerase eta 0.0071 0.1159 0.1632
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0826 0.1873
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0065 0.1009 0.0964
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0431 0.0871
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.1009 0.2314
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Plasmodium falciparum thioredoxin reductase 0.0033 0.017 0.0239
Echinococcus granulosus dna polymerase kappa 0.0043 0.0431 0.0383
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.017 0.0291
Schistosoma mansoni beta-14-galactosyltransferase 0.0028 0.005 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0088 0.004
Schistosoma mansoni jumonji domain containing protein 0.0065 0.1009 0.142
Brugia malayi ImpB/MucB/SamB family protein 0.0071 0.1159 0.2677
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.7684 1
Schistosoma mansoni beta-14-galactosyltransferase 0.0028 0.005 0.007
Brugia malayi Pip kinase protein 2 0.0179 0.3975 0.9472
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.017 0.0291
Leishmania major DNA polymerase eta, putative 0.0071 0.1159 0.2638
Leishmania major phosphoglycerate kinase B, cytosolic 0.0188 0.4193 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Leishmania major trypanothione reductase 0.0094 0.1761 0.4098
Giardia lamblia DINP protein human, muc B family 0.0043 0.0431 0.0472
Echinococcus multilocularis lysine specific demethylase 5A 0.0065 0.1009 0.0964
Brugia malayi Flap endonuclease-1 0.0029 0.0072 0.0053
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.017 0.0239
Brugia malayi Phosphoglycerate kinase 0.0069 0.1113 0.2567
Entamoeba histolytica deoxycytidyl transferase, putative 0.0043 0.0431 0.0472
Schistosoma mansoni phosphoglycerate kinase 0.0188 0.4193 0.5904
Mycobacterium tuberculosis Probable oxidoreductase 0.0238 0.5498 0.9054
Entamoeba histolytica phosphoglycerate kinase, putative 0.0188 0.4193 0.5415
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0179 0.3975 0.3945
Schistosoma mansoni beta-14-galactosyltransferase 0.0028 0.005 0.007
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0188 0.4193 1
Plasmodium vivax thioredoxin reductase, putative 0.0094 0.1761 0.4098
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0214 0.4878 0.8001
Mycobacterium tuberculosis Conserved hypothetical protein 0.0043 0.0431 0.0442
Plasmodium falciparum phosphoglycerate kinase 0.0188 0.4193 1
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0188 0.4193 0.3754
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0431 0.0647
Schistosoma mansoni beta-14-galactosyltransferase 34-related 0.0028 0.005 0.007
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0214 0.4878 0.8001
Trypanosoma cruzi DNA polymerase eta, putative 0.0071 0.1159 0.2638
Loa Loa (eye worm) hypothetical protein 0.0071 0.1159 0.2677
Echinococcus granulosus Metazoa galactosyltransferase 0.0106 0.2079 0.2039
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0431 0.0871
Echinococcus granulosus geminin 0.0196 0.4422 0.4394
Trypanosoma brucei phosphoglycerate kinase, putative 0.0069 0.1113 0.2527
Echinococcus granulosus dna polymerase eta 0.0071 0.1159 0.1115
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0431 0.0919
Schistosoma mansoni beta-14-galactosyltransferase 0.0028 0.005 0.007
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.017 0.0239
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0238 0.5498 0.9054
Schistosoma mansoni beta-14-galactosyltransferase 0.0028 0.005 0.007
Trypanosoma brucei unspecified product 0.0029 0.0088 0.004
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.1009 0.0964
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0094 0.1761 0.2703

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activity of calf intestinal phosphatase assessed as compound turn over rates by inorganic phosphate release and malachite green dye based inorganic phosphate detection based assay ChEMBL. No reference
Activity (binding) Activity of Neisseria meningitidis alpha-1,4-galactosyltransferase LgtC assessed as compound turn over rates at 50 to 100 uM incubated for 20 mins by inorganic phosphate release and malachite green dye based inorganic phosphate detection based assay ChEMBL. No reference
IC50 (binding) = 0.9 uM Inhibition of Neisseria meningitidis alpha-1,4-galactosyltransferase LgtC by inorganic phosphate release from UDP and malachite green dye based inorganic phosphate detection based assay ChEMBL. No reference
IC50 (binding) = 9 uM Inhibition of bovine beta-1,4-GalT LgtC at 29% donor UDP-Gal turn over rates by inorganic phosphate release from UDP and malachite green dye based inorganic phosphate detection based assay ChEMBL. No reference
Kcat (binding) = 0.25 10'-3/s Activity of bovine beta-1,4-GalT by HPLC analysis ChEMBL. 22356319
Kcat (binding) = 1.9 10'-3/s Activity of bovine alpha-1,3-GalT by HPLC analysis ChEMBL. 22356319
Ki (binding) = 9.8 uM Inhibition of alpha-1,3-GalT in bovine after 15 mins by Dixon plot analysis ChEMBL. 22356319
Km (binding) = 13 uM Activity of bovine alpha-1,3-GalT by HPLC analysis ChEMBL. 22356319
Km (binding) = 74 uM Activity of bovine beta-1,4-GalT by HPLC analysis ChEMBL. 22356319

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

No literature references available for this target.

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