Detailed information for compound 501046

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1091.09 | Formula: C49H62N12O17
  • H donors: 13 H acceptors: 19 LogP: -0.54 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC(=O)CC[C@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](Cc2ccc(cc2)O)Nn2nnc(c2)C[C@H](NC(=O)[C@@H](C(=O)NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CC(C)C)CCC(=O)O)C(=O)N
  • InChi: 1S/C49H62N12O17/c1-24(2)18-33-46(75)56-43(72)30(13-15-38(64)65)42(71)52-32(41(50)70)21-27-23-61(59-57-27)58-36(20-26-7-11-29(63)12-8-26)47(76)53-34(19-25-5-9-28(62)10-6-25)44(73)54-35(22-40(68)69)45(74)51-31(14-16-39(66)67)49(78)60-17-3-4-37(60)48(77)55-33/h5-12,23-24,30-37,58,62-63H,3-4,13-22H2,1-2H3,(H2,50,70)(H,51,74)(H,52,71)(H,53,76)(H,54,73)(H,55,77)(H,64,65)(H,66,67)(H,68,69)(H,56,72,75)/t30-,31+,32-,33-,34-,35-,36-,37-/m0/s1
  • InChiKey: WKSCTYDPVKKDSE-FNTPXREUSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0396 0.0387
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0155 0.0195
Onchocerca volvulus 0.0468 0.7983 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0396 0.201
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0285 0.0102
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0274 0.0389
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0078 0.1053 0.1255
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0274 0.1379
Schistosoma mansoni hypothetical protein 0.0019 0.0006 0.0008
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0274 0.0326
Echinococcus granulosus dnaJ subfamily B 0.0415 0.704 1
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0274 0.0326
Brugia malayi Pre-SET motif family protein 0.006 0.0737 0.0923
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1053 0.0986
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0396 0.49
Echinococcus multilocularis lysine specific demethylase 5A 0.0128 0.1936 0.275
Echinococcus granulosus lamin dm0 0.0027 0.0155 0.0221
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0402 0.033
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.2014 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0326
Schistosoma mansoni hypothetical protein 0.0415 0.704 0.8391
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0155 0.0185
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1053 0.0986
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0253 0.1271
Brugia malayi phosphofructokinase 0.0128 0.1947 0.2439
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0402 0.1731
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0285 0.1387
Loa Loa (eye worm) jmjC domain-containing protein 0.0131 0.1995 0.2378
Echinococcus granulosus phd:f box containing protein 0.0034 0.0274 0.0389
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0396 0.12
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0029 0.0185 0.0111
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0274 0.0326
Schistosoma mansoni jun-related protein 0.0159 0.2497 0.2976
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.1947 0.2321
Schistosoma mansoni hypothetical protein 0.004 0.0384 0.0457
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.2014 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.111 0.1577
Toxoplasma gondii hypothetical protein 0.0041 0.0396 0.1943
Brugia malayi Glycosyl hydrolases family 31 protein 0.0351 0.5906 0.7398
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0196 0.3149 0.4472
Brugia malayi 6-phosphofructokinase 0.0128 0.1947 0.2439
Echinococcus granulosus geminin 0.0172 0.2723 0.3868
Brugia malayi Glycosyl hydrolases family 31 protein 0.0078 0.1053 0.1319
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0285 0.6531
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0396 0.12
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2014 0.2333
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0402 0.0444
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0128 0.1947 0.2252
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.1947 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0155 0.0185
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0041 0.0396 0.201
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1947 0.1886
Echinococcus granulosus lamin 0.0027 0.0155 0.0221
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0274 0.0389
Echinococcus granulosus neutral alpha glucosidase AB 0.0078 0.1053 0.1496
Echinococcus multilocularis lysosomal alpha glucosidase 0.0351 0.5906 0.8389
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0396 0.5186
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0274 0.0389
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Schistosoma mansoni alpha glucosidase 0.0078 0.1053 0.1255
Loa Loa (eye worm) PHD-finger family protein 0.0058 0.07 0.0834
Echinococcus multilocularis muscleblind protein 0.0152 0.2361 0.3354
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1947 0.1886
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0274 0.1332
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.1947 0.2321
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.111 0.1323
Onchocerca volvulus 0.0081 0.111 0.1219
Loa Loa (eye worm) hypothetical protein 0.0041 0.0396 0.0472
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.2014 0.2861
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Onchocerca volvulus 0.0203 0.3277 0.3987
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.036 0.0287
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0041 0.0396 0.17
Schistosoma mansoni ap endonuclease 0.0041 0.0402 0.048
Plasmodium vivax SET domain protein, putative 0.006 0.0737 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0147 0.0175
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0402 0.034
Leishmania major alpha glucosidase II subunit, putative 0.0078 0.1053 0.507
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.044 0.026
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0274 0.0326
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0285 0.0212
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0041 0.0396 0.0563
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0274 0.3242
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1053 0.0885
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Loa Loa (eye worm) hypothetical protein 0.0152 0.2361 0.2814
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.2014 0.2566
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0041 0.0396 0.12
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0737 0.0878
Giardia lamblia Fructose-bisphosphate aldolase 0.0582 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2014 0.2333
Schistosoma mansoni NAD dehydrogenase 0.0041 0.0396 0.0472
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0185 0.092
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0402 0.2041
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0396 0.12
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0737 0.0878
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0472
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0402 0.033
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.044 0.044
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0396 0.201
Onchocerca volvulus 0.006 0.0737 0.0743
Echinococcus granulosus jumonji domain containing protein 0.0081 0.1104 0.1568
Schistosoma mansoni alpha-glucosidase 0.0302 0.5038 0.6004
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.044 0.2236
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0041 0.0396 0.0387
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0285 0.3416
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0402 0.5282
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0737 0.0878
Echinococcus multilocularis lamin 0.0027 0.0155 0.0221
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Echinococcus multilocularis neutral alpha glucosidase AB 0.0078 0.1053 0.1496
Loa Loa (eye worm) hypothetical protein 0.0468 0.7983 0.9515
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.1947 0.2321
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.044 0.044
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.1947 0.2321
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0058 0.07 0.0834
Mycobacterium ulcerans 6-phosphofructokinase 0.0128 0.1947 0.2252
Brugia malayi cDNA sequence BC016226 0.0041 0.0396 0.0497
Echinococcus multilocularis lamin dm0 0.0027 0.0155 0.0221
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0274 0.0389
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0422 0.0242
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0582 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.022
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0128 0.1947 0.1886
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0422 0.2072
Echinococcus multilocularis lysosomal alpha glucosidase 0.0351 0.5906 0.8389
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0041 0.0396 0.0563
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0075 0.0083
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0284 0.4716 0.5581
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Leishmania major hypothetical protein, conserved 0.0041 0.0396 0.17
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0676 0.096
Loa Loa (eye worm) acetyltransferase 0.0144 0.223 0.2658
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.1995 0.2378
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0075 0.034
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0422 0.06
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0387
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0705 0.084
Echinococcus granulosus cpg binding protein 0.0062 0.0764 0.1085
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0078 0.1053 0.5214
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0737 0.1046
Schistosoma mansoni fad oxidoreductase 0.0041 0.0396 0.0472
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0285 0.3228
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0075 0.0013
Echinococcus multilocularis musashi 0.0027 0.0155 0.0221
Loa Loa (eye worm) hypothetical protein 0.0468 0.7983 0.9515
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Echinococcus granulosus muscleblind protein 0.0152 0.2361 0.3354
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0274 0.0326
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0402 0.0222
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.6975 0.8313
Onchocerca volvulus Alhambra homolog 0.0058 0.07 0.0696
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0041 0.0396 0.0497
Brugia malayi intermediate filament protein 0.0027 0.0155 0.0195
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0285 0.1387
Brugia malayi AF-10 protein 0.0019 0.0006 0.0008
Schistosoma mansoni hypothetical protein 0.0172 0.2723 0.3245
Loa Loa (eye worm) hypothetical protein 0.0152 0.2361 0.2814
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0041 0.0396 0.0497
Loa Loa (eye worm) hypothetical protein 0.0033 0.0253 0.0301
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0041 0.0396 0.0387
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0402 0.0572
Onchocerca volvulus 0.0468 0.7981 0.9997
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Schistosoma mansoni hypothetical protein 0.0159 0.2497 0.2976
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.2158 0.3066
Loa Loa (eye worm) hypothetical protein 0.019 0.3053 0.3639
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0396 0.12
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0402 0.4991
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0075 0.0352
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0274 0.0389
Brugia malayi Muscleblind-like protein 0.0152 0.2361 0.2958
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0422 0.0242
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0041 0.0396 0.0472
Schistosoma mansoni cpg binding protein 0.0062 0.0764 0.091
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1053 0.0885
Schistosoma mansoni ap endonuclease 0.0041 0.0402 0.048
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0037 0.0333 0.0473
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0274 0.0505
Toxoplasma gondii exonuclease III APE 0.0041 0.0402 0.1973
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.1943
Echinococcus granulosus lysosomal alpha glucosidase 0.0351 0.5906 0.8389
Loa Loa (eye worm) jmjC domain-containing protein 0.012 0.1797 0.2142
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.223 0.3168
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Echinococcus multilocularis 6 phosphofructokinase 0.0128 0.1947 0.2766
Brugia malayi jmjC domain containing protein 0.0247 0.4063 0.509
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0075 0.0049
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.1947 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.223 0.2658
Loa Loa (eye worm) hypothetical protein 0.0115 0.1708 0.2036
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0396 0.0387
Loa Loa (eye worm) hypothetical protein 0.0041 0.0396 0.0472
Echinococcus multilocularis Protein lozenge 0.0059 0.0712 0.1012
Echinococcus multilocularis PHD finger protein rhinoceros 0.0058 0.07 0.0994
Onchocerca volvulus 0.0154 0.2401 0.2869
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0185 0.0232
Schistosoma mansoni jumonji domain containing protein 0.0208 0.337 0.4016
Echinococcus granulosus PHD finger protein rhinoceros 0.0058 0.07 0.0994
Loa Loa (eye worm) hypothetical protein 0.0491 0.839 1
Schistosoma mansoni cpg binding protein 0.0062 0.0764 0.091
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0028 0.004
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0041 0.0396 0.201
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0041 0.0396 0.12
Brugia malayi CXXC zinc finger family protein 0.0058 0.0705 0.0882
Schistosoma mansoni lamin 0.0027 0.0155 0.0185
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0422 0.5291
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0041 0.0396 0.201
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0185 0.0615
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0128 0.1947 0.2477
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1947 0.1886
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.044 0.026
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0041 0.0396 0.0308
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0316 0.1598
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.044 0.2236
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0284 0.4716 0.6121
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0351 0.5906 0.7039
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.07 0.3454
Plasmodium vivax JmjC domain containing protein 0.0034 0.0274 0.3064
Trichomonas vaginalis maltase-glucoamylase, putative 0.0078 0.1053 0.0885
Onchocerca volvulus 0.0058 0.0705 0.0701
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0075 0.0079
Echinococcus multilocularis cpg binding protein 0.0062 0.0764 0.1085
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0041 0.0396 0.0324
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0036 0.0302 0.036
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0402 0.048
Brugia malayi bZIP transcription factor family protein 0.0196 0.3149 0.3944
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Trichomonas vaginalis set domain proteins, putative 0.0468 0.7981 0.7943
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.045 0.7663 1
Giardia lamblia PHD finger protein 15 0.0058 0.07 0.0639
Loa Loa (eye worm) histone methyltransferase 0.002 0.0028 0.0034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0714 0.0851
Schistosoma mansoni fad oxidoreductase 0.0041 0.0396 0.0472
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.036 0.4605
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0491 0.839 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0274 0.0389
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Schistosoma mansoni cpg binding protein 0.0058 0.0705 0.084
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0041 0.0396 0.0324
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Treponema pallidum fructose-bisphosphate aldolase 0.0582 1 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0285 0.3228
Brugia malayi hypothetical protein 0.0154 0.2401 0.3008
Schistosoma mansoni hypothetical protein 0.0058 0.07 0.0834
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.1995 0.2378
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0472
Loa Loa (eye worm) hypothetical protein 0.006 0.0737 0.0878
Echinococcus multilocularis dna polymerase kappa 0.0043 0.044 0.0625
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0029 0.0185 0.0038
Echinococcus granulosus intermediate filament protein 0.0027 0.0155 0.0221
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0041 0.0396 0.0563
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0075 0.034
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.036 0.0297
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0714 0.0894
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0285 0.0212
Brugia malayi jmjC domain containing protein 0.0131 0.1995 0.2499
Loa Loa (eye worm) hypothetical protein 0.0058 0.07 0.0834
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0737 0.1046
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Schistosoma mansoni lamin 0.0027 0.0155 0.0185
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0041 0.0396 0.0387
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0384 0.048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0737 0.0878
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0737 0.1046
Echinococcus multilocularis jumonji domain containing protein 0.0081 0.1104 0.1568
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0737 0.3637
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0196 0.3149 0.4472
Echinococcus granulosus lysine specific demethylase 5A 0.0131 0.1995 0.2834
Brugia malayi PHD-finger family protein 0.0022 0.0065 0.0082
Echinococcus multilocularis dnaJ subfamily B 0.0415 0.704 1
Schistosoma mansoni d-amino acid oxidase 0.0491 0.839 1
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0285 0.1387
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0402 0.1234
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.2014 0.2401
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0274 0.0326
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.111 0.1577
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0037 0.0333 0.0473
Echinococcus multilocularis peregrin 0.0062 0.0763 0.1083
Brugia malayi Bromodomain containing protein 0.0062 0.0763 0.0955
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1053 0.4929
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0396 0.12
Trypanosoma brucei glucosidase, putative 0.0078 0.1053 0.5395
Brugia malayi RE18450p 0.0041 0.0396 0.0497
Loa Loa (eye worm) hypothetical protein 0.0081 0.111 0.1323
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Loa Loa (eye worm) phosphofructokinase 0.0128 0.1947 0.2321
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.1903 0.2268
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0041 0.0396 0.0563
Brugia malayi hypothetical protein 0.0468 0.7983 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0078 0.1053 0.0885
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0274 0.0505
Plasmodium falciparum phd finger protein, putative 0.0058 0.07 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0253 0.1271
Echinococcus granulosus jun protein 0.0196 0.3149 0.4472
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0274 0.1332
Leishmania major ATP-dependent phosphofructokinase 0.0128 0.1947 0.9654
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0402 0.0222
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0491 0.839 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0155 0.0185
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0041 0.0396 0.0308
Leishmania major hypothetical protein, conserved 0.0034 0.0274 0.1071
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0274 0.0326
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.2014 0.2861
Loa Loa (eye worm) hypothetical protein 0.0059 0.0714 0.0851
Echinococcus multilocularis jun protein 0.0196 0.3149 0.4472
Schistosoma mansoni alpha-glucosidase 0.0302 0.5038 0.6004
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.1732 0.8591
Echinococcus granulosus peregrin 0.0062 0.0763 0.1083
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0402 0.0504
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0247 0.4063 0.5772
Loa Loa (eye worm) runx1 0.0059 0.0712 0.0849
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0334
Schistosoma mansoni intermediate filament proteins 0.0027 0.0155 0.0185
Loa Loa (eye worm) hypothetical protein 0.0022 0.0065 0.0078
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2014 0.2333
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1053 0.4929
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0285 0.0221
Echinococcus granulosus dna polymerase kappa 0.0043 0.044 0.0625
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Echinococcus multilocularis muscleblind protein 1 0.0152 0.2361 0.3354
Leishmania major hypothetical protein, conserved 0.0041 0.0396 0.17
Brugia malayi F/Y-rich N-terminus family protein 0.0039 0.0361 0.0452
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.223 0.2793
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0326
Schistosoma mansoni hypothetical protein 0.0172 0.2723 0.3245
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0274 0.0389
Plasmodium vivax hypothetical protein, conserved 0.0058 0.07 0.945
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0422 0.2072
Loa Loa (eye worm) hypothetical protein 0.0041 0.0396 0.0472
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0284 0.4716 0.5581
Echinococcus granulosus 6 phosphofructokinase 0.0128 0.1947 0.2766
Brugia malayi PHD-finger family protein 0.0058 0.07 0.0877
Schistosoma mansoni lozenge 0.0059 0.0712 0.0849
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0247 0.4063 0.5772
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0402 0.0394
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0402 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.07 0.3454
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0065 0.0303
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0402 0.1234
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Loa Loa (eye worm) hypothetical protein 0.004 0.0384 0.0457
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.2014 0.2401
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0028 0.004
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0274 0.0326
Brugia malayi 6-phosphofructokinase 0.0128 0.1947 0.2439
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0714 0.0894
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0402 0.0572
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Trypanosoma brucei unspecified product 0.0036 0.0316 0.1598
Echinococcus multilocularis geminin 0.0172 0.2723 0.3868
Brugia malayi polk-prov protein 0.0033 0.0253 0.0317
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.111 0.139
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0285 0.3416
Brugia malayi Pre-SET motif family protein 0.0411 0.6975 0.8737
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0396 0.0436
Chlamydia trachomatis D-amino acid dehydrogenase 0.0041 0.0396 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0285 0.6531
Onchocerca volvulus Putative fad oxidoreductase 0.0041 0.0396 0.0308

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0 % Displacement of biotinylated VEGF165 from human recombinant VEGFR1 at 100 uM ChEMBL. 17826090
Activity (binding) = 0 % Displacement of biotinylated VEGF165 from human recombinant VEGFR1 at 100 uM ChEMBL. 17826090
IC50 (binding) 0 Displacement of biotinylated VEGF165 from human recombinant VEGFR1 ChEMBL. 17826090

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

1 literature reference was collected for this gene.

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