Detailed information for compound 1561092

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.531 | Formula: C22H36N2O6
  • H donors: 1 H acceptors: 1 LogP: 2.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)CCN1CCNCC1
  • InChi: 1S/C22H36N2O6/c1-14-4-5-17-15(2)19(26-18(25)7-11-24-12-9-23-10-13-24)27-20-22(17)16(14)6-8-21(3,28-20)29-30-22/h14-17,19-20,23H,4-13H2,1-3H3/t14-,15-,16+,17+,19-,20-,21-,22-/m1/s1
  • InChiKey: MXENOJJZWLWVDW-ZBFLUBEFSA-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
Trypanosoma cruzi squalene monooxygenase, putative 0.0251 0.3569 1
Schistosoma mansoni ap endonuclease 0.0019 0.0199 0.0199
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0378 0.0881
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0153 0.098
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0367 0.0367
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0783 0.0783
Trypanosoma brucei squalene monooxygenase, putative 0.0251 0.3569 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0028 0.0028
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0212 0.1987
Plasmodium vivax JmjC domain containing protein 0.0016 0.0153 0.0576
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0199 0.0152
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0028 0.0028
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0524 0.1209
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0232 0.1063
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0232 0.0463
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0762 0.0762
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0153 0.0238
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0199 0.0184
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.204 0.204
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0019 0.00000000041307
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0153 0.0051
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.00000000041307
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0464 0.0957
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0029 0.0342 0.5534
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.0464 0.0825
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0166 0.0275
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0212 0.0212
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0524 0.1795
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0137 0.0005
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0762 0.311
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Echinococcus granulosus RUN 0.002 0.0212 0.0212
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0199 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0705 0.3457
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0482 0.0482
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0199 0.1335
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0524 0.1131
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0807 0.0807
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0464 0.0665
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0464 0.1066
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0153 0.0153
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0031 0.0378 0.1853
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0199 0.043
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0016 0.0153 0.0751
Brugia malayi jmjC domain containing protein 0.0016 0.0153 0.0751
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0547 0.1264
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0274 0.2749
Trypanosoma brucei unspecified product 0.0035 0.0428 0.1022
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0153 0.0153
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0547 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.032 0.1569
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0212 0.0212
Schistosoma mansoni cpg binding protein 0.0031 0.0367 0.0367
Brugia malayi polk-prov protein 0.0031 0.0378 0.1853
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.00000000041307
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0153 0.0153
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.204 1
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0136 0.0664
Echinococcus multilocularis microtubule associated protein 2 0.0695 1 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0027 0.0312 0.0312
Loa Loa (eye worm) acetyltransferase 0.0146 0.204 1
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0783 0.0783
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0547 0.1264
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0153 0.0751
Leishmania major DNA polymerase kappa, putative 0.0021 0.0232 0.0281
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0029 0.0342 0.1677
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0199 0.0199
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0524 0.0524
Schistosoma mansoni ap endonuclease 0.0019 0.0199 0.0199
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0783 0.0783
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0177 0.0177
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0016 0.0153 0.0751
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Loa Loa (eye worm) hypothetical protein 0.0029 0.0342 0.1677
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0344 0.1684
Brugia malayi jmjC domain containing protein 0.0016 0.0153 0.0751
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0495 0.0741
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0019 0.00000000041307
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0039 0.0487 0.9784
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0464 0.0464
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0212 0.0212
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0199 0.043
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.1981 0.1981
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0464 0.1127
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0783 0.0783
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0136 0.0578
Brugia malayi Doublecortin family protein 0.002 0.0212 0.104
Echinococcus multilocularis bloom syndrome protein 0.0041 0.0525 0.0525
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0762 0.0762
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0153 0.0153
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0464 0.0957
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0136 0.0136
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0524 0.1795
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0029 0.0342 0.3742
Giardia lamblia DINP protein human, muc B family 0.0021 0.0232 0.0083
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.00000000041307
Brugia malayi hypothetical protein 0.002 0.0212 0.104
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0212 0.0212
Toxoplasma gondii exonuclease III APE 0.0019 0.0199 0.1646
Schistosoma mansoni hypothetical protein 0.002 0.0212 0.0212
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0762 0.3734
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0137 0.0005
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0464 0.1066
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0199 0.0184
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.073 0.073
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0136 0.0136
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0199 0.1669
Schistosoma mansoni rab6-interacting 0.002 0.0212 0.0212
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.2009 1
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0524 0.1297
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.4192 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0495 0.09
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0464 0.0464
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0888 0.1868
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0212 0.1724
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0807 0.3954
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0199 0.0897
Schistosoma mansoni loxhd1 0.002 0.0212 0.0212
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Echinococcus granulosus cpg binding protein 0.0031 0.0367 0.0367
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0464 0.1066
Schistosoma mansoni rab6-interacting 0.002 0.0212 0.0212
Schistosoma mansoni cpg binding protein 0.0029 0.0344 0.0344
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0464 0.2275
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0888 0.0888
Schistosoma mansoni cpg binding protein 0.0031 0.0367 0.0367
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0052 0.0256
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0031 0.038 0.0712
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Schistosoma mansoni DNA helicase recq1 0.0029 0.0342 0.0342
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0136 0.0664
Loa Loa (eye worm) hypothetical protein 0.0037 0.0464 0.2275
Loa Loa (eye worm) hypothetical protein 0.002 0.0212 0.104
Echinococcus multilocularis dna polymerase eta 0.0015 0.0136 0.0136
Schistosoma mansoni lipoxygenase 0.002 0.0212 0.0212
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0054 0.0265
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.2009 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0015 0.0136 0.0016
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0524 0.1131
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0524 0.1131
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0025 0.0282 0.3671
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0031 0.038 0.0712
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0464 0.0464
Echinococcus multilocularis RUN 0.002 0.0212 0.0212
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0153 0.0153
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0028 0.0028
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.00000000041307
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0136 0.0136
Leishmania major hypothetical protein, conserved 0.0016 0.0153 0.0051
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0136 0.0664
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0199 0.0184
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0199 0.0171
Loa Loa (eye worm) doublecortin family protein 0.002 0.0212 0.104
Giardia lamblia Fructose-bisphosphate aldolase 0.0294 0.4192 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0378 0.0881
Echinococcus granulosus dna polymerase eta 0.0015 0.0136 0.0136
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0482 0.0482
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.0136 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0166 0.0275
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.00000000041307
Schistosoma mansoni microtubule-associated protein tau 0.0695 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0673
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.5896 0.5896
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.073 0.073
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0028 0.0028
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.204 0.204
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0888 0.2192
Schistosoma mansoni hypothetical protein 0.0412 0.5896 0.5896
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0807 0.0807
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0232 0.0281
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0888 0.0888
Loa Loa (eye worm) hypothetical protein 0.0016 0.0153 0.0751
Brugia malayi jmjC domain containing protein 0.0061 0.0807 0.3954
Echinococcus granulosus dnaJ subfamily B 0.0412 0.5896 0.5896
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0888 0.2338
Echinococcus granulosus dna polymerase kappa 0.0041 0.0524 0.0524
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0495 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0199 0.0368
Brugia malayi hypothetical protein 0.002 0.0212 0.104
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0888 0.4352
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0153 0.0153
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0888 0.0888
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0137 0.0747
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0015 0.0136 0.0664
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0153 0.0153
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0547 0.6728
Schistosoma mansoni lipoxygenase 0.0056 0.073 0.073
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0762 0.1824
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0428 0.1022
Schistosoma mansoni DNA polymerase eta 0.0015 0.0136 0.0136
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0029 0.0342 0.0342
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.4192 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0153 0.0751
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0547 0.6728
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0888 0.2192
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0029 0.0342 0.1677
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0814 0.0814
Leishmania major squalene monooxygenase-like protein 0.0251 0.3569 1
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0153 0.0153
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0762 0.311
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0029 0.0342 0.1677
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0153 0.0051
Trypanosoma cruzi squalene monooxygenase, putative 0.0251 0.3569 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0019 0.00000000041307
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0212 0.0212
Brugia malayi jmjC domain containing protein 0.0059 0.0783 0.3837
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0547 0.0547
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0464 0.0464
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0029 0.0342 0.0342
Loa Loa (eye worm) RecQ helicase 0.0041 0.0525 0.2574
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0054 0.0054
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0807 0.0807
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0762 0.3728
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0153 0.098
Schistosoma mansoni blooms syndrome DNA helicase 0.0015 0.0137 0.0137
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0888 0.4352
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0464 0.0464
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0028 0.0028
Onchocerca volvulus 0.0029 0.0344 1
Echinococcus granulosus phd:f box containing protein 0.0016 0.0153 0.0153
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0153 0.0153
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0771 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0212 0.104
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0199 0.0199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.4192 1
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0153 0.0153
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0199 0.0974
Treponema pallidum fructose-bisphosphate aldolase 0.0294 0.4192 1
Trichomonas vaginalis DNA helicase recq, putative 0.0031 0.038 0.0865
Brugia malayi CXXC zinc finger family protein 0.0029 0.0344 0.1684
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0136 0.0136
Schistosoma mansoni DNA helicase recq5 0.0029 0.0342 0.0342
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0212 0.0212
Trichomonas vaginalis DNA helicase recq, putative 0.0041 0.0525 0.1213
Entamoeba histolytica recQ family helicase, putative 0.0031 0.038 0.0618
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0888 0.2192
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0524 0.1209
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0029 0.0342 0.3742
Echinococcus granulosus bloom syndrome protein 0.0041 0.0525 0.0525
Schistosoma mansoni polycystin 1-related 0.002 0.0212 0.0212
Brugia malayi jmjC domain containing protein 0.0016 0.0153 0.0751
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0054 0.0054
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0029 0.0342 0.0342
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0166 0.0275
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0524 0.1297
Trichomonas vaginalis DNA helicase recq1, putative 0.0041 0.0525 0.1213
Entamoeba histolytica recQ family DNA helicase 0.0015 0.0137 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0031 0.038 0.0886
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0177 0.0177
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0524 0.1131
Brugia malayi jmjC domain containing protein 0.0016 0.0153 0.0751
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0524 0.1297
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0153 0.0751
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0762 0.0762
Brugia malayi Bloom's syndrome protein homolog 0.0041 0.0525 0.2574
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.2009 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0029 0.0342 0.0359
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0029 0.0342 0.0342
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0464 0.0464
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0464 0.0957
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0199 0.0974

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.22 nM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ChEMBL. 21489789
IC50 (functional) = 16 nM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ChEMBL. 21489789
IC50 (functional) = 8.91 uM Cytotoxicity against human HeLa cells after 7 days by MTT assay ChEMBL. 21489789
Ratio IC50 (functional) = 1.7 Resistance index, ratio of IC50 for chloroquine-resistant Plasmodium falciparum Dd2 to IC50 for chloroquine-sensitive Plasmodium falciparum D10 ChEMBL. 21489789

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21489789
Homo sapiens ChEMBL23 21489789

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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