Detailed information for compound 1511639

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 562.614 | Formula: C30H34N4O7
  • H donors: 6 H acceptors: 7 LogP: 0.37 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: O[C@@H]1[C@@H](NCc2nnn(c2)Cc2cc(OCc3ccccc3)cc(c2)OCc2ccccc2)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O
  • InChi: 1S/C30H34N4O7/c35-26-25(27(36)29(38)30(39)28(26)37)31-14-22-16-34(33-32-22)15-21-11-23(40-17-19-7-3-1-4-8-19)13-24(12-21)41-18-20-9-5-2-6-10-20/h1-13,16,25-31,35-39H,14-15,17-18H2/t25-,26-,27+,28+,29-,30-
  • InChiKey: OIFZDLBPIABAJR-YCHSXSCJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Plasmodium falciparum plasmepsin VIII, putative 0.0027 0.0515 0.1618
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1561 0.3261
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0112 0.3186 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0044 0.0105
Plasmodium vivax plasmepsin IV, putative 0.0112 0.3186 1
Schistosoma mansoni memapsin-2 (A01 family) 0.0027 0.0515 0.0515
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0112 0.3186 0.3388
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.1675 0.4153
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0858 0.0858
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0575 0.1426
Loa Loa (eye worm) RecQ helicase 0.0024 0.0443 0.0471
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.4232 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0295 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1561 0.1561
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0397 0.0938
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6062 0.6412
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6406 0.6781
Giardia lamblia PHD finger protein 15 0.0029 0.0605 0.0682
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.4232 0.4232
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1561 0.3261
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0295 0.1385
Loa Loa (eye worm) hypothetical protein 0.0019 0.0295 0.0314
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0295 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.9403 1
Plasmodium falciparum plasmepsin X 0.0027 0.0515 0.1618
Schistosoma mansoni zinc finger protein 0.0015 0.0169 0.0169
Brugia malayi aspartic protease BmAsp-2, identical 0.0027 0.0515 0.0548
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.9403 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1561 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1561 0.3261
Plasmodium falciparum plasmepsin III 0.0027 0.0515 0.1618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0295 0.0314
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0027 0.0515 0.1618
Plasmodium vivax SET domain protein, putative 0.003 0.0609 0.1373
Plasmodium falciparum plasmepsin II 0.0112 0.3186 1
Plasmodium vivax plasmepsin V, putative 0.0027 0.0515 0.106
Plasmodium falciparum plasmepsin IV 0.0112 0.3186 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0337 0.0358
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0858 0.2127
Loa Loa (eye worm) hypothetical protein 0.0071 0.1911 0.2033
Brugia malayi jmjC domain containing protein 0.0038 0.0858 0.0912
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6406 0.6781
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0295 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.1077 0.3381
Brugia malayi PHD-finger family protein 0.0029 0.0605 0.0643
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6062 0.6412
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0818 0.2029
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1145 0.284
Plasmodium falciparum plasmepsin VII 0.0027 0.0515 0.1618
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.1675 0.3957
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.4176 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1145 0.1218
Plasmodium vivax aspartyl proteinase, putative 0.0112 0.3186 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0605 0.1429
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0225 0.0225
Loa Loa (eye worm) aspartyl protease 6 0.0027 0.0515 0.0548
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0964 0.239
Echinococcus granulosus dna polymerase kappa 0.0019 0.0295 0.0732
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0295 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0295 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.4176 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0044 0.011
Onchocerca volvulus Alhambra homolog 0.0029 0.0605 0.0138
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0443 0.1047
Plasmodium falciparum plasmepsin VI 0.0112 0.3186 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0515 0.0548
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0609 0.1439
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Brugia malayi Bromodomain containing protein 0.0042 0.1002 0.1065
Onchocerca volvulus 0.003 0.0609 0.0144
Loa Loa (eye worm) hypothetical protein 0.0122 0.3487 0.3708
Brugia malayi Pepsin A precursor 0.0027 0.0515 0.0548
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.1077 0.2671
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.00000000014186 0.00000000044528
Giardia lamblia DINP protein human, muc B family 0.0019 0.0295 0.0333
Toxoplasma gondii aspartyl protease ASP3 0.0027 0.0515 0.1618
Trypanosoma brucei unspecified product 0.0019 0.0295 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0295 0.0314
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.9403 1
Schistosoma mansoni bromodomain containing protein 0.0067 0.1787 0.1787
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0818 0.1933
Brugia malayi Pre-SET motif family protein 0.0206 0.6105 0.6493
Plasmodium falciparum plasmepsin I 0.0112 0.3186 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.9403 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.1077 0.3381
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.4176 0.5
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0605 0.136
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.0082 0.0087
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6062 0.6412
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0443 0.0471
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0295 0.0295
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0605 0.1899
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1561 0.4899
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6062 0.6412
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Plasmodium falciparum phd finger protein, putative 0.0029 0.0605 0.1899
Brugia malayi hypothetical protein 0.0027 0.0515 0.0548
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.6062 0.8565
Toxoplasma gondii aspartyl protease 0.0027 0.0515 0.1618
Echinococcus multilocularis dna polymerase eta 0.0019 0.0295 0.0697
Schistosoma mansoni zinc finger protein 0.0023 0.0413 0.0413
Brugia malayi Eukaryotic aspartyl protease family protein 0.0027 0.0515 0.0548
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1145 0.1145
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0397 0.0397
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0112 0.3186 0.7901
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1145 0.2706
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0858 0.0858
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Trypanosoma brucei unspecified product 0.0013 0.0107 0.0748
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0295 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.0295 0.0295
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1561 0.3688
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Treponema pallidum fructose-bisphosphate aldolase 0.0295 0.8875 0.5
Echinococcus granulosus dna polymerase eta 0.0019 0.0295 0.0732
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0295 0.0219
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1581 0.1681
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0112 0.3186 0.7528
Schistosoma mansoni hypothetical protein 0.0029 0.0605 0.0605
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Plasmodium vivax aspartyl protease, putative 0.0027 0.0515 0.106
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6062 0.6412
Loa Loa (eye worm) hypothetical protein 0.0039 0.0895 0.0951
Brugia malayi Pre-SET motif family protein 0.003 0.0609 0.0648
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1561 0.1561
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1145 0.1145
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0609 0.1911
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1561 0.3261
Echinococcus granulosus peregrin 0.0035 0.0789 0.1956
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0107 0.0748
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0295 0.0697
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.269 0.6356
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1561 0.3871
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0353 0.0376
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Brugia malayi hypothetical protein 0.0027 0.0515 0.0548
Loa Loa (eye worm) hypothetical protein 0.0027 0.0515 0.0548
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0295 1
Leishmania major hypothetical protein, conserved 0.0015 0.0169 0.0529
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0893 0.1006
Brugia malayi aspartic protease BmAsp-1, identical 0.0027 0.0515 0.0548
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6062 0.6412
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0351 0.1103
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.4232 0.45
Brugia malayi jmjC domain containing protein 0.0096 0.269 0.2861
Brugia malayi PHD-finger family protein 0.0012 0.0048 0.0051
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.005 0.126 0.134
Echinococcus granulosus bloom syndrome protein 0.0024 0.0443 0.1099
Plasmodium falciparum plasmepsin V 0.0027 0.0515 0.1618
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0605 0.0605
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0225 0.0557
Toxoplasma gondii aspartyl protease ASP1 0.0112 0.3186 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0609 0.0609
Trypanosoma brucei ISWI complex protein 0.0015 0.0169 0.3821
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.8875 1
Schistosoma mansoni hypothetical protein 0.0015 0.0169 0.0169
Loa Loa (eye worm) hypothetical protein 0.0047 0.1139 0.1211
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0112 0.3186 0.3186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0609 0.0609
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0443 0.0377
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0107 0.0748
Leishmania major DNA polymerase eta, putative 0.0019 0.0295 0.1385
Loa Loa (eye worm) hypothetical protein 0.0012 0.0048 0.0051
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.9403 1
Echinococcus multilocularis zinc finger protein 0.0023 0.0413 0.0977
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Echinococcus multilocularis peregrin 0.0035 0.0789 0.1864
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.269 0.6671
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0011 0.0022 0.0022
Plasmodium vivax aspartyl proteinase, putative 0.0027 0.0515 0.106
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0605 0.0643
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0295 0.0732
Schistosoma mansoni jumonji domain containing protein 0.0077 0.2073 0.2073
Plasmodium falciparum plasmepsin IX 0.0027 0.0515 0.1618
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.1077 0.2941
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0193 0.0605
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Brugia malayi PHD-finger family protein 0.0029 0.0581 0.0618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8875 0.9433
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.8875 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.1077 0.1058
Loa Loa (eye worm) acetyltransferase 0.0146 0.4232 0.45
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0964 0.2278
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0295 0.0697
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0605 0.1899
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.9403 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0112 0.3186 0.3388
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0029 0.0605 0.0643
Trypanosoma cruzi ISWI complex protein 0.0015 0.0169 0.3821
Echinococcus granulosus zinc finger protein 0.0023 0.0413 0.1025
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.9403 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0605 0.15
Trypanosoma brucei unspecified product 0.0013 0.0107 0.0748
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0893 0.2804
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0107 0.0748
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0893 0.0913
Schistosoma mansoni hypothetical protein 0.0021 0.0337 0.0337
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0225 0.0531
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0858 0.0912
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0295 0.0295
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0027 0.0515 0.0548
Trichomonas vaginalis set domain proteins, putative 0.0234 0.6992 0.7411
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0284 0.0284
Onchocerca volvulus 0.0234 0.6992 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0397 0.0985
Loa Loa (eye worm) hypothetical protein 0.0045 0.1078 0.1147
Plasmodium vivax aspartyl protease, putative 0.0027 0.0515 0.106
Brugia malayi Bromodomain containing protein 0.0079 0.2155 0.2292
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.9403 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0295 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0798 0.1885
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.1077 0.1058
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.6105 0.6493
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6062 0.6412
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 0.8875 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0295 1
Brugia malayi Bromodomain containing protein 0.0035 0.0789 0.0839
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.4032 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0515 0.0515
Leishmania major DNA polymerase kappa, putative 0.0019 0.0295 0.1385
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0295 0.0219
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0295 0.0232
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0295 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0443 0.0377
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0295 0.0314
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0112 0.3186 0.3323
Trypanosoma cruzi ISWI complex protein 0.0015 0.0169 0.3821
Plasmodium vivax aspartyl protease, putative 0.0027 0.0515 0.106

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.05 uM Inhibition of recombinant glucocerebrosidase in McIlvaine buffer at pH 5.2 after 10 mins by fluorometric analysis ChEMBL. 21370884
IC50 (binding) = 0.06 uM Inhibition of recombinant glucocerebrosidase in McIlvaine buffer at pH 7.4 after 10 mins by fluorometric analysis ChEMBL. 21370884
IC50 (binding) > 100 uM Inhibition of yeast alpha-glucosidase ChEMBL. 21370884
IC50 (binding) > 100 uM Inhibition of rice alpha-glucosidase ChEMBL. 21370884
IC50 (binding) > 100 uM Inhibition of alpha-galactosidase from coffee beans ChEMBL. 21370884
IC50 (binding) > 100 uM Inhibition of bovine liver beta-galactosidase ChEMBL. 21370884
Inhibition (binding) = 9 % Inhibition of glucosylceramide synthase in human A549 cells at 250 uM after 35 mins by fluorometric analysis ChEMBL. 21370884
Inhibition (binding) = 93 % Inhibition of glucocerebrosidase in human intact fibroblasts at 50 uM after 24 hrs by fluorometric analysis ChEMBL. 21370884
Ki (binding) = 0.05 uM Competitive inhibition of recombinant glucocerebrosidase ChEMBL. 21370884

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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