Detailed information for compound 1743733

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 915.084 | Formula: C45H70N8O12
  • H donors: 7 H acceptors: 9 LogP: 3.54 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC[C@@H](C[C@H]1CC[C@](O[C@@H]1C)(O)[C@@](C(=O)N[C@H]1[C@@H](OC(=O)[C@@H](C)NC(=O)[C@@H]2CCCNN2C(=O)CNC(=O)[C@@H](N(C(=O)[C@@H]2N(C1=O)NCCC2)OCc1ccccc1)C)C(C)C)(O)C)C
  • InChi: 1S/C45H70N8O12/c1-9-27(4)23-32-19-20-45(62,65-30(32)7)44(8,61)43(60)50-36-37(26(2)3)64-42(59)28(5)49-39(56)33-17-13-21-47-51(33)35(54)24-46-38(55)29(6)53(63-25-31-15-11-10-12-16-31)40(57)34-18-14-22-48-52(34)41(36)58/h10-12,15-16,26-30,32-34,36-37,47-48,61-62H,9,13-14,17-25H2,1-8H3,(H,46,55)(H,49,56)(H,50,60)/t27-,28+,29-,30+,32+,33-,34+,36-,37-,44+,45+/m0/s1
  • InChiKey: XEGCBMJSCNKFHD-VFZBOVNESA-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
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0363 0.0504
Echinococcus multilocularis geminin 0.0175 0.2775 0.3922
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0128 0.196 0.2325
Mycobacterium leprae Probable lipase LipE 0.0035 0.0349 0.0248
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0038 0.04 0.0556
Brugia malayi RE18450p 0.0042 0.0464 0.0579
Brugia malayi polk-prov protein 0.0034 0.0321 0.0401
Brugia malayi beta-lactamase family protein 0.0035 0.0349 0.0435
Trichomonas vaginalis DNA polymerase eta, putative 0.0044 0.0508 0.0433
Echinococcus granulosus jun protein 0.0099 0.1454 0.205
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0349 0.6818
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0023 0.0139 0.1726
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0042 0.0464 0.0463
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0363 0.0504
Mycobacterium ulcerans lipase LipD 0.0035 0.0349 0.0325
Chlamydia trachomatis D-amino acid dehydrogenase 0.0042 0.0464 1
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0042 0.0464 0.0387
Brugia malayi Pre-SET motif family protein 0.0419 0.6994 0.8735
Echinococcus granulosus cpg binding protein 0.0063 0.0828 0.1163
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0363 0.0287
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0078 0.0097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0801 0.0944
Trichomonas vaginalis set domain proteins, putative 0.0477 0.7993 0.7977
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0144 1
Onchocerca volvulus 0.0078 0.1087 0.1108
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0365 0.0506
Onchocerca volvulus 0.0035 0.0349 0.016
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0489 0.2701
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.1171 0.1386
Echinococcus multilocularis dna polymerase eta 0.0016 0.0012 0.0005
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0078 0.0093
Echinococcus granulosus lamin dm0 0.0028 0.0224 0.0306
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0042 0.0464 0.0308
Echinococcus multilocularis peregrin 0.0063 0.0827 0.1161
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0349 0.0406
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0042 0.0464 0.9115
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0489 0.6068
Schistosoma mansoni lamin 0.0028 0.0224 0.0258
Loa Loa (eye worm) hypothetical protein 0.0035 0.0349 0.0415
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0593 1 1
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0042 0.0464 0.0543
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0078 0.1403
Schistosoma mansoni cpg binding protein 0.0063 0.0828 0.0977
Loa Loa (eye worm) hypothetical protein 0.0028 0.0224 0.0267
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0042 0.0464 0.9115
Toxoplasma gondii PHD-finger domain-containing protein 0.0019 0.0076 0.0381
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.2543 0.3594
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0035 0.0341 0.1872
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0076 0.136
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0807 0.1132
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0363 0.0287
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0135 0.1587
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0021 0.0098 0.0127
Loa Loa (eye worm) beta-lactamase 0.0035 0.0349 0.0415
Onchocerca volvulus 0.0083 0.1171 0.1217
Schistosoma mansoni ap endonuclease 0.0019 0.0078 0.0084
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0363 0.0287
Loa Loa (eye worm) hypothetical protein 0.0478 0.8008 0.9528
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0076 0.136
Loa Loa (eye worm) hypothetical protein 0.0096 0.1407 0.1675
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0144 0.2714
Brugia malayi beta-lactamase family protein 0.0035 0.0349 0.0435
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0365 0.0506
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0078 0.0878
Echinococcus multilocularis jun protein 0.0099 0.1454 0.205
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0144 0.0761
Trichomonas vaginalis esterase, putative 0.0035 0.0349 0.0273
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0078 0.0885
Echinococcus multilocularis jumonji domain containing 1A 0.0035 0.0341 0.0473
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0365 0.0289
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0012 0.0014
Leishmania major hypothetical protein, conserved 0.0035 0.0341 0.4176
Brugia malayi hypothetical protein 0.0078 0.1087 0.1357
Loa Loa (eye worm) hypothetical protein 0.0083 0.1171 0.1394
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0807 0.0875
Echinococcus multilocularis phd:f box containing protein 0.0035 0.0341 0.0473
Schistosoma mansoni alpha-glucosidase 0.0139 0.2153 0.2555
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0349 0.4298
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0801 0.1124
Loa Loa (eye worm) hypothetical protein 0.0035 0.0349 0.0415
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0801 0.1124
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0363 0.0287
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0801 0.0944
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0042 0.0464 0.0463
Schistosoma mansoni alpha glucosidase 0.0036 0.0363 0.0423
Loa Loa (eye worm) jmjC domain-containing protein 0.0122 0.1854 0.2206
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0349 0.0273
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0365 0.0506
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0508 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0224 0.0258
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.2284 0.2711
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0807 0.0951
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Treponema pallidum fructose-bisphosphate aldolase 0.0593 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0135 0.1587
Brugia malayi jmjC domain containing protein 0.0035 0.0341 0.0426
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0042 0.0464 0.0579
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0501 0.8405 1
Brugia malayi Muscleblind-like protein 0.0155 0.2415 0.3016
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0078 0.0067
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0807 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0349 0.0325
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0807 0.0951
Brugia malayi F/Y-rich N-terminus family protein 0.004 0.0428 0.0535
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0349 0.0406
Onchocerca volvulus 0.0035 0.0349 0.016
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0341 0.0406
Loa Loa (eye worm) jmjC domain-containing protein 0.0133 0.205 0.2439
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0459 0.7683 1
Echinococcus granulosus phd:f box containing protein 0.0035 0.0341 0.0473
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0427 0.5536
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0365 0.0354
Schistosoma mansoni NAD dehydrogenase 0.0042 0.0464 0.0543
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0365 0.0289
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0349 0.0273
Giardia lamblia PHD finger protein 15 0.0059 0.0765 0.0692
Brugia malayi isocitrate dehydrogenase 0.0015 0.0008 0.001
Brugia malayi PHD-finger family protein 0.0059 0.0765 0.0955
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0016 0.0012 0.0014
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0042 0.0464 0.0387
Loa Loa (eye worm) hypothetical protein 0.0042 0.0464 0.0551
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0807 0.4482
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0051 0.0858
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0365 0.0506
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.2284 0.3226
Schistosoma mansoni cpg binding protein 0.0063 0.0828 0.0977
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0489 0.0682
Echinococcus granulosus jumonji domain containing 1A 0.0035 0.0341 0.0473
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0765 0.9543
Schistosoma mansoni hypothetical protein 0.0175 0.2775 0.3295
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0363 0.0287
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0042 0.0464 0.9115
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0765 0.4247
Toxoplasma gondii ABC1 family protein 0.0035 0.0349 0.1913
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0042 0.0464 0.9115
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0489 0.0414
Loa Loa (eye worm) hypothetical protein 0.0034 0.0321 0.0383
Brugia malayi jmjC domain containing protein 0.0035 0.0341 0.0426
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0035 0.0341 0.6672
Echinococcus multilocularis jumonji domain containing protein 0.0082 0.1165 0.1641
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0363 0.1994
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0419 0.6994 0.8322
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Echinococcus multilocularis lysine specific demethylase 5A 0.013 0.1992 0.2812
Plasmodium falciparum JmjC domain-containing protein, putative 0.0035 0.0341 0.4407
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0363 0.7107
Schistosoma mansoni terminal deoxycytidyl transferase 0.0016 0.0012 0.0004
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0224 0.0267
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0508 1
Schistosoma mansoni phosphatidylserine receptor 0.0035 0.0341 0.0397
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0349 0.0483
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0365 0.0506
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0252 0.4104 0.5806
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0321 0.6273
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.3621 0.4708
Onchocerca volvulus Putative fad oxidoreductase 0.0042 0.0464 0.0308
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0035 0.0341 0.6672
Schistosoma mansoni fad oxidoreductase 0.0042 0.0464 0.0543
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0363 0.4448
Schistosoma mansoni hypothetical protein 0.0059 0.0765 0.0901
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0042 0.0464 0.0646
Loa Loa (eye worm) hypothetical protein 0.0501 0.8405 1
Trypanosoma brucei unspecified product 0.0037 0.0385 0.7537
Brugia malayi Bromodomain containing protein 0.0063 0.0827 0.1033
Plasmodium falciparum phd finger protein, putative 0.0059 0.0765 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0363 0.7107
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0099 0.1454 0.205
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.1171 0.1649
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0099 0.1454 0.205
Onchocerca volvulus 0.0061 0.0801 0.0741
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0078 0.1403
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0038 0.04 0.0556
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0363 0.0287
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0363 0.0454
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0144 0.0177
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0135 0.2536
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0252 0.4104 0.5806
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0365 0.0456
Loa Loa (eye worm) hypothetical protein 0.0035 0.0349 0.0415
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Leishmania major DNA polymerase eta, putative 0.0016 0.0012 0.0045
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0349 0.0248
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0042 0.0464 0.2557
Loa Loa (eye worm) hypothetical protein 0.0478 0.8008 0.9528
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0042 0.0464 0.9115
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0341 0.0406
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0349 0.0325
Mycobacterium tuberculosis Conserved protein 0.0035 0.0349 0.0444
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0042 0.0464 0.0646
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0042 0.0464 0.5745
Onchocerca volvulus 0.0478 0.8008 1
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0427 0.0416
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0008 0.001
Onchocerca volvulus Alhambra homolog 0.0059 0.0765 0.0694
Loa Loa (eye worm) hypothetical protein 0.0035 0.0349 0.0415
Leishmania major hypothetical protein, conserved 0.0042 0.0464 0.5704
Echinococcus granulosus dna polymerase eta 0.0016 0.0012 0.0005
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0144 0.1793
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0341 0.0406
Loa Loa (eye worm) hypothetical protein 0.0155 0.2415 0.2874
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0051 0.0858
Schistosoma mansoni jumonji domain containing protein 0.0035 0.0341 0.0397
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0365 0.0289
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0021 0.0098 0.0127
Echinococcus multilocularis muscleblind protein 1 0.0155 0.2415 0.3412
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0508 1
Schistosoma mansoni hypothetical protein 0.0019 0.0076 0.0081
Echinococcus granulosus lysine specific demethylase 6a 0.0035 0.0341 0.0473
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0349 0.0415
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0078 0.0927
Echinococcus multilocularis dna polymerase kappa 0.0044 0.0508 0.0709
Schistosoma mansoni hypothetical protein 0.008 0.1133 0.1341
Brugia malayi Pre-SET motif family protein 0.0061 0.0801 0.1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0118 0.179 1
Brugia malayi cDNA sequence BC016226 0.0042 0.0464 0.0579
Loa Loa (eye worm) acetyltransferase 0.0147 0.2284 0.2718
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0365 0.0425
Schistosoma mansoni phd/f-box containing protein 0.0035 0.0341 0.0397
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0016 0.0012 0.0004
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0144 0.0079
Brugia malayi jmjC domain containing protein 0.0252 0.4104 0.5126
Brugia malayi jmjC domain containing protein 0.0035 0.0341 0.0426
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0042 0.0464 0.0646
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0508 0.0516
Brugia malayi AF-10 protein 0.0019 0.0076 0.0095
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0144 0.1711
Echinococcus multilocularis lamin 0.0028 0.0224 0.0306
Onchocerca volvulus 0.0035 0.0349 0.016
Echinococcus granulosus dnaJ subfamily B 0.0423 0.7063 1
Echinococcus granulosus JmjC domain containing protein 4 0.0035 0.0341 0.0473
Trypanosoma cruzi DNA polymerase eta, putative 0.0016 0.0012 0.0072
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0135 0.0165
Echinococcus multilocularis PHD finger protein rhinoceros 0.0059 0.0765 0.1073
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0363 0.0287
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0019 0.0076 0.0381
Plasmodium vivax JmjC domain containing protein 0.0035 0.0341 0.4206
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0042 0.0464 0.0646
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0365 0.7147
Echinococcus multilocularis JmjC domain containing protein 4 0.0035 0.0341 0.0473
Schistosoma mansoni DNA polymerase eta 0.0016 0.0012 0.0004
Leishmania major hypothetical protein, conserved 0.0035 0.0349 0.4267
Schistosoma mansoni lozenge 0.006 0.0778 0.0918
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0078 0.0099
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0508 1
Brugia malayi jmjC domain containing protein 0.0133 0.205 0.256
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0035 0.0341 0.0397
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0042 0.0464 0.0463
Schistosoma mansoni jumonji/arid domain-containing protein 0.0133 0.205 0.2432
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0144 0.0079
Loa Loa (eye worm) hypothetical protein 0.0035 0.0349 0.0415
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0363 0.0352
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0349 0.0444
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0349 0.0273
Echinococcus granulosus geminin 0.0175 0.2775 0.3922
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0365 0.0289
Mycobacterium tuberculosis Conserved protein 0.0035 0.0349 0.0444
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0349 0.0444
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0042 0.0464 0.9115
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0042 0.0464 0.0551
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0042 0.0464 0.0543
Loa Loa (eye worm) hypothetical protein 0.0042 0.0464 0.0551
Brugia malayi intermediate filament protein 0.0028 0.0224 0.028
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0042 0.0464 0.9115
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0042 0.0464 0.9115
Mycobacterium tuberculosis Conserved protein 0.0035 0.0349 0.0444
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.2543 0.3594
Trypanosoma brucei DNA polymerase eta, putative 0.0016 0.0012 0.0072
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0801 0.0944
Brugia malayi hypothetical protein 0.0478 0.8008 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.2543 0.3176
Loa Loa (eye worm) runx1 0.006 0.0778 0.0926
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0051 0.0858
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0042 0.0464 0.9115
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0078 0.0091
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0078 0.1403
Brugia malayi PHD-finger family protein 0.0023 0.0134 0.0168
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0321 0.6273
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0349 0.0325
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0224 0.0267
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.2213 0.3125
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0042 0.0464 0.0579
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.2284 0.2852
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0489 0.0414
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0042 0.0464 0.9115
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0042 0.0464 0.0463
Loa Loa (eye worm) hypothetical protein 0.0059 0.0765 0.091
Loa Loa (eye worm) histone methyltransferase 0.0021 0.0098 0.0116
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0017 0.0035 0.0038
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0363 0.0432
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0349 0.0444
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0427 0.0352
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0042 0.0464 0.0453
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.2543 0.3594
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0363 0.0287
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0078 0.0099
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0349 0.6818
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0765 0.4247
Schistosoma mansoni cpg binding protein 0.0059 0.077 0.0907
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0385 0.7537
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0489 0.2701
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0144 0.1699
Echinococcus granulosus dna polymerase kappa 0.0044 0.0508 0.0709
Schistosoma mansoni jumonji/arid domain-containing protein 0.0133 0.205 0.2432
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.029 0.4753 0.6182
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0349 0.0444
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0035 0.0341 0.6672
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0464 0.0551
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0349 0.0444
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0042 0.0464 0.0453
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0014
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0349 0.0444
Toxoplasma gondii hypothetical protein 0.0042 0.0464 0.2557
Onchocerca volvulus 0.0059 0.077 0.0701
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0365 0.7147
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.074 0.1038
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0042 0.0464 0.5704
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0508 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0059 0.0765 0.0901
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0042 0.0464 0.0388
Schistosoma mansoni protein phosphatase 2C 0.0035 0.0341 0.0397
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0016 0.0012 0.0005
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0349 0.0444
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0016 0.0012 0.0005
Schistosoma mansoni jumonji domain containing protein 0.0212 0.3416 0.4058
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0044 0.0508 0.0433
Echinococcus granulosus lysine specific demethylase 5A 0.0133 0.205 0.2895
Loa Loa (eye worm) hypothetical protein 0.0061 0.0801 0.0953
Loa Loa (eye worm) hypothetical protein 0.0155 0.2415 0.2874
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0363 0.0352
Echinococcus granulosus lamin 0.0028 0.0224 0.0306
Loa Loa (eye worm) PHD-finger family protein 0.0059 0.0765 0.091
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0365 0.4473
Echinococcus multilocularis cpg binding protein 0.0063 0.0828 0.1163
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0801 0.1124
Schistosoma mansoni jun-related protein 0.008 0.1133 0.1341
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0807 0.1132
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0593 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0807 0.1041
Brugia malayi jmjC domain containing protein 0.0035 0.0341 0.0426
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0035 0.0341 0.1872
Mycobacterium tuberculosis Conserved hypothetical protein 0.0016 0.0012 0.0005
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0042 0.0464 0.9115
Loa Loa (eye worm) hypothetical protein 0.0035 0.0349 0.0415
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0139 0.1647
Loa Loa (eye worm) hypothetical protein 0.0117 0.1765 0.2101
Giardia lamblia Fructose-bisphosphate aldolase 0.0593 1 1
Plasmodium vivax SET domain protein, putative 0.0061 0.0801 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.2543 0.3026
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.1171 0.1649
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0008 0.0009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0365 0.0434
Echinococcus multilocularis muscleblind protein 0.0155 0.2415 0.3412
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0036 0.0369 0.0431
Echinococcus granulosus mixed lineage leukemia protein mll 0.0017 0.0035 0.0038
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0363 0.0287
Brugia malayi CXXC zinc finger family protein 0.0059 0.077 0.0961
Schistosoma mansoni d-amino acid oxidase 0.0501 0.8405 1
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0042 0.0464 0.0594
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0801 0.4451
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.077 0.0916
Echinococcus granulosus intermediate filament protein 0.0028 0.0224 0.0306
Echinococcus multilocularis dnaJ subfamily B 0.0423 0.7063 1
Brugia malayi bZIP transcription factor family protein 0.0099 0.1454 0.1816
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.0035 0.0038
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.029 0.4753 0.5614
Echinococcus multilocularis lamin dm0 0.0028 0.0224 0.0306
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0144 0.0066
Schistosoma mansoni hypothetical protein 0.0423 0.7063 0.8402
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0365 0.0506
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0508 0.0516
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0807 0.0875
Schistosoma mansoni ap endonuclease 0.0019 0.0078 0.0084
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0501 0.8405 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0144 0.0761
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0365 0.7147
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0349 0.6818
Schistosoma mansoni alpha-glucosidase 0.0139 0.2153 0.2555
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0508 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0341 0.0406
Giardia lamblia DINP protein human, muc B family 0.0023 0.0135 0.0057
Mycobacterium ulcerans hypothetical protein 0.0035 0.0349 0.0325
Onchocerca volvulus 0.0094 0.1362 0.1462
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0042 0.0464 0.9115
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0042 0.0464 0.0308
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0801 0.0944
Trypanosoma brucei glucosidase, putative 0.0036 0.0363 0.7107
Loa Loa (eye worm) hypothetical protein 0.0027 0.0215 0.0256
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0349 0.0273
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0012 0.0014
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0349 0.0435
Echinococcus granulosus peregrin 0.0063 0.0827 0.1161
Echinococcus granulosus jumonji domain containing protein 0.0082 0.1165 0.1641
Schistosoma mansoni fad oxidoreductase 0.0042 0.0464 0.0543
Echinococcus multilocularis lysine specific demethylase 6a 0.0035 0.0341 0.0473
Echinococcus granulosus PHD finger protein rhinoceros 0.0059 0.0765 0.1073
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0508 1
Echinococcus multilocularis musashi 0.0028 0.0224 0.0306
Entamoeba histolytica hypothetical protein 0.0023 0.0144 0.0132
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0365 0.0425
Echinococcus granulosus muscleblind protein 0.0155 0.2415 0.3412
Echinococcus multilocularis Protein lozenge 0.006 0.0778 0.1092
Schistosoma mansoni hypothetical protein 0.0175 0.2775 0.3295
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.0035 0.0038
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0042 0.0464 0.602
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0349 0.0483
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.029 0.4753 0.5579
Brugia malayi beta-lactamase 0.0035 0.0349 0.0435
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0349 0.0273
Onchocerca volvulus 0.0477 0.7998 0.9988
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0224 0.028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0807 0.0875
Toxoplasma gondii exonuclease III APE 0.0019 0.0078 0.0394
Schistosoma mansoni lamin 0.0028 0.0224 0.0258
Leishmania major hypothetical protein, conserved 0.0042 0.0464 0.5704
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.1171 0.1463
Loa Loa (eye worm) hypothetical protein 0.0023 0.0134 0.016
Loa Loa (eye worm) hypothetical protein 0.0035 0.0341 0.0406

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) > 100 ug ml-1 Inhibition of radiolabeled C5a binding to its membrane bound C5a anaphylatoxin chemotactic receptor ChEMBL. No reference
MPO release (functional) = 18 ug ml-1 Nonspecific degranulation of polymorho neutrophils as measured by myeloperoxidase (MPO) release in a whole functional cell assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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