Detailed information for compound 515834

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 260.242 | Formula: C14H12O5
  • H donors: 0 H acceptors: 2 LogP: 1.44 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C2=C(OCCOCCO2)C(=O)c2c1cccc2
  • InChi: 1S/C14H12O5/c15-11-9-3-1-2-4-10(9)12(16)14-13(11)18-7-5-17-6-8-19-14/h1-4H,5-8H2
  • InChiKey: VUGRKEBOKBIZJX-UHFFFAOYSA-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
Brugia malayi exodeoxyribonuclease III family protein 0.0078 0.0066 0.0362
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0078 0.0066 0.0065
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0112 0.0109 0.0576
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.0016 0.1291
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0007 0.0032
Echinococcus multilocularis lysine specific demethylase 6a 0.0063 0.0048 0.1069
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0078 0.0066 0.5663
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Brugia malayi glutaminase DH11.1 0.1103 0.134 0.7974
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0118 0.0116 0.1564
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0087 0.0078 0.1052
Brugia malayi beta-NAC-like protein 0.0115 0.0113 0.0641
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.0109 0.1281
Loa Loa (eye worm) ICD-1 protein 0.0115 0.0113 0.0641
Schistosoma mansoni phd/f-box containing protein 0.0063 0.0048 0.0318
Leishmania major basic transcription factor 3a, putative 0.0115 0.0113 0.151
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.0109 0.0774
Trypanosoma brucei unspecified product 0.0057 0.0041 0.055
Schistosoma mansoni DNA helicase recq1 0.0042 0.0022 0.0121
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0008 0.0017
Loa Loa (eye worm) jmjC domain-containing protein 0.0236 0.0263 0.1539
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0042 0.0022 0.0097
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0051 0.0488
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0063 0.0048 0.0441
Giardia lamblia Fructose-bisphosphate aldolase 0.0616 0.0735 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0078 0.0066 0.1528
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.009 0.0082 0.0571
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0007 0.0529
Echinococcus granulosus dna polymerase kappa 0.0064 0.005 0.1114
Schistosoma mansoni jumonji/arid domain-containing protein 0.0236 0.0263 0.193
Plasmodium vivax SET domain protein, putative 0.0031 0.0008 0.0583
Leishmania major cathepsin L-like protease 0.0066 0.0051 0.0678
Brugia malayi follicle stimulating hormone receptor 0.0241 0.0269 0.1575
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.8073 1 1
Schistosoma mansoni protein phosphatase 2C 0.0063 0.0048 0.0318
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0066 0.0453
Loa Loa (eye worm) hypothetical protein 0.0063 0.0048 0.0253
Brugia malayi phosphofructokinase 0.0112 0.0109 0.0617
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0118 0.0116 1
Mycobacterium ulcerans DNA polymerase IV 0.0064 0.005 0.0049
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0009 0.012
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0066 0.044
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0465 0.0548 0.0547
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0066 0.0453
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0007 0.0529
Onchocerca volvulus 0.0244 0.0273 0.1597
Echinococcus multilocularis musashi 0.0114 0.0111 0.2668
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.0109 0.1466
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0042 0.0022 0.1792
Treponema pallidum penicillin-binding protein (pbp-3) 0.1529 0.187 1
Plasmodium falciparum cysteine--tRNA ligase 0.0118 0.0116 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.0066 0.0361
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0338 0.039 0.0389
Mycobacterium ulcerans lipoprotein LpqF 0.0075 0.0063 0.0062
Giardia lamblia Sgs1 DNA helicase, putative 0.0042 0.0022 0.0199
Trypanosoma brucei DNA polymerase IV, putative 0.0057 0.0041 0.055
Brugia malayi hypothetical protein 0.1376 0.1679 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0023 0.0306
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0006 0.0023
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0564 0.067 0.0669
Loa Loa (eye worm) hypothetical protein 0.0114 0.0111 0.0632
Echinococcus multilocularis L aminoadipate semialdehyde 0.009 0.0082 0.1922
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0078 0.0066 0.0693
Trichomonas vaginalis set domain proteins, putative 0.0244 0.0273 0.1993
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0019 0.0258
Loa Loa (eye worm) hypothetical protein 0.009 0.0082 0.0455
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0042 0.0022 0.0409
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0043 0.0023 0.0022
Echinococcus granulosus cysteinyl tRNA synthetase 0.0118 0.0116 0.2783
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0063 0.0048 0.4074
Mycobacterium ulcerans 6-phosphofructokinase 0.0112 0.0109 0.0108
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0112 0.0109 0.0108
Mycobacterium tuberculosis Probable esterase LipL 0.0078 0.0066 0.0065
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0036 0.0014 0.021
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.0109 0.1468
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0114 0.0111 0.0632
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.005 0.0466
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0048 0.0318
Leishmania major DNA polymerase kappa, putative 0.0043 0.0023 0.0292
Mycobacterium tuberculosis Probable lipase LipD 0.0078 0.0066 0.0065
Leishmania major ATP-dependent phosphofructokinase 0.0112 0.0109 0.1456
Mycobacterium tuberculosis Conserved protein 0.0078 0.0066 0.0065
Echinococcus granulosus dna polymerase eta 0.0062 0.0046 0.1032
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0112 0.0109 0.0108
Leishmania major cathepsin L-like protease 0.0066 0.0051 0.0678
Trypanosoma brucei beta lactamase 0.0075 0.0063 0.0853
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0564 0.067 0.0669
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0075 0.0063 0.0062
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0118 0.0116 0.0904
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0008 0.0017
Entamoeba histolytica hypothetical protein 0.0115 0.0113 0.152
Schistosoma mansoni intermediate filament proteins 0.0114 0.0111 0.0793
Plasmodium vivax cysteine--tRNA ligase, putative 0.0118 0.0116 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0078 0.0066 0.0885
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0078 0.0066 0.0512
Schistosoma mansoni hypothetical protein 0.0348 0.0402 0.2971
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0315 0.0361 0.036
Loa Loa (eye worm) hypothetical protein 0.0078 0.0066 0.0361
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.0258 0.6382
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.0109 0.0617
Echinococcus granulosus phd:f box containing protein 0.0063 0.0048 0.1069
Schistosoma mansoni lamin 0.0114 0.0111 0.0793
Brugia malayi polk-prov protein 0.004 0.0019 0.0082
Echinococcus multilocularis lamin dm0 0.0114 0.0111 0.2668
Loa Loa (eye worm) hypothetical protein 0.0078 0.0066 0.0361
Toxoplasma gondii exonuclease III APE 0.0078 0.0066 0.5663
Plasmodium vivax JmjC domain containing protein 0.0063 0.0048 0.4074
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0118 0.0116 0.0115
Brugia malayi beta-lactamase family protein 0.0078 0.0066 0.0361
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.005 0.0466
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0007 0.0529
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.0109 0.1466
Trichomonas vaginalis esterase, putative 0.0078 0.0066 0.044
Loa Loa (eye worm) hypothetical protein 0.0233 0.0258 0.1512
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.005 0.0466
Echinococcus multilocularis phd:f box containing protein 0.0063 0.0048 0.1069
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0007 0.0048
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0157 0.0165 0.0164
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0118 0.0116 0.1379
Brugia malayi Intermediate filament tail domain containing protein 0.0114 0.0111 0.0632
Trypanosoma cruzi transcription factor btf3, putative 0.0115 0.0113 0.1336
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0036 0.0014 0.021
Echinococcus multilocularis Protein lozenge 0.0173 0.0184 0.4503
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0055 0.0038 0.0819
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0063 0.0048 0.0318
Echinococcus multilocularis geminin 0.0348 0.0402 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0036 0.0014 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0338 0.039 0.0389
Echinococcus granulosus transcription factor btf3 0.0115 0.0113 0.2705
Mycobacterium ulcerans DNA polymerase IV 0.0064 0.005 0.0049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Treponema pallidum fructose-bisphosphate aldolase 0.0616 0.0735 0.3929
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.0066 0.0361
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0051 0.0488
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1046 0.127 1
Echinococcus granulosus JmjC domain containing protein 4 0.0063 0.0048 0.1069
Brugia malayi jmjC domain containing protein 0.0063 0.0048 0.0253
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0078 0.0066 0.0065
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.0066 0.0889
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0236 0.0263 0.6497
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0564 0.067 0.0669
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0008 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Trypanosoma cruzi transcription factor btf3, putative 0.0115 0.0113 0.1336
Loa Loa (eye worm) hypothetical protein 0.004 0.0019 0.0082
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0061 0.0045 0.0239
Echinococcus granulosus 6 phosphofructokinase 0.0112 0.0109 0.2604
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0495 0.0585 0.0584
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0063 0.0048 0.1069
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.0113 0.0792
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.0109 0.0762
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0008 0.0583
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0042 0.0022 0.0292
Mycobacterium tuberculosis Probable lipase LipE 0.0078 0.0066 0.0065
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0008 0.0059
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0042 0.0022 0.1792
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.0109 0.0762
Entamoeba histolytica deoxycytidyl transferase, putative 0.0036 0.0014 0.0173
Brugia malayi beta-lactamase 0.0078 0.0066 0.0361
Brugia malayi Pre-SET motif family protein 0.0031 0.0008 0.0014
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0042 0.0022 0.0278
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0315 0.0361 0.036
Mycobacterium tuberculosis Conserved protein 0.0078 0.0066 0.0065
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0322 0.0369 0.0368
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0042 0.0022 0.0409
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0118 0.0116 0.1563
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0008 0.0059
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.0066 0.1523
Onchocerca volvulus 0.0047 0.0028 0.0138
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0301 0.0344 0.0343
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.0113 0.0792
Trichomonas vaginalis conserved hypothetical protein 0.092 0.1113 0.8294
Plasmodium falciparum basic transcription factor 3b, putative 0.0115 0.0113 0.9728
Giardia lamblia DINP protein human, muc B family 0.0043 0.0023 0.0213
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.062 0.074 1
Trypanosoma brucei DNA polymerase IV, putative 0.0064 0.005 0.067
Echinococcus multilocularis lamin 0.0114 0.0111 0.2668
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0078 0.0066 0.0693
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0051 0.0488
Plasmodium vivax basic transcription factor 3b, putative 0.0115 0.0113 0.9728
Brugia malayi Bloom's syndrome protein homolog 0.0042 0.0022 0.0097
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0063 0.0048 0.1069
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0118 0.0116 0.0815
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0087 0.0078 0.0856
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0042 0.0022 0.1792
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0078 0.0066 0.0065
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0087 0.0078 0.0856
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0236 0.0263 0.6497
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Leishmania major hypothetical protein, conserved 0.0078 0.0066 0.0876
Schistosoma mansoni ap endonuclease 0.0078 0.0066 0.0454
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Brugia malayi 6-phosphofructokinase 0.0112 0.0109 0.0617
Brugia malayi ImpB/MucB/SamB family protein 0.0036 0.0014 0.005
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0106 0.0102 0.1184
Loa Loa (eye worm) hypothetical protein 0.0063 0.0048 0.0253
Loa Loa (eye worm) hypothetical protein 0.0078 0.0066 0.0361
Mycobacterium ulcerans glutaminase 0.1103 0.134 0.1339
Leishmania major mitochondrial DNA polymerase beta 0.062 0.074 1
Echinococcus granulosus leucyl tRNA synthetase 0.0118 0.0116 0.2783
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0078 0.0066 0.0892
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.0109 0.0774
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0042 0.0022 0.0097
Treponema pallidum penicillin-binding protein (pbp-2) 0.092 0.1113 0.5949
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0044 0.039
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0042 0.0022 0.0409
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0036 0.0014 0.005
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0315 0.0361 0.036
Schistosoma mansoni DNA polymerase eta 0.0062 0.0046 0.0307
Schistosoma mansoni hypothetical protein 0.0348 0.0402 0.2971
Chlamydia trachomatis transglycolase/transpeptidase 0.0633 0.0756 0.5951
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0118 0.0116 0.0827
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Echinococcus multilocularis 6 phosphofructokinase 0.0112 0.0109 0.2604
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.005 0.0466
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.009 0.0082 0.0455
Brugia malayi beta-lactamase family protein 0.0078 0.0066 0.0361
Schistosoma mansoni jumonji domain containing protein 0.0236 0.0263 0.193
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0042 0.0022 0.0097
Loa Loa (eye worm) hypothetical protein 0.0042 0.0022 0.0097
Brugia malayi Pre-SET motif family protein 0.0214 0.0236 0.1378
Loa Loa (eye worm) beta-lactamase 0.0078 0.0066 0.0361
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0616 0.0735 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0465 0.0548 0.0547
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Treponema pallidum exodeoxyribonuclease (exoA) 0.0078 0.0066 0.0348
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0007 0.0529
Plasmodium falciparum cysteine--tRNA ligase 0.0118 0.0116 1
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.0046 0.0245
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.0066 0.1523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Loa Loa (eye worm) hypothetical protein 0.0062 0.0046 0.0245
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.062 0.074 1
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.0109 0.0762
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0078 0.0066 0.0809
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0465 0.0548 0.0547
Echinococcus granulosus jumonji domain containing 1A 0.0063 0.0048 0.1069
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0301 0.0344 0.0343
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0078 0.0066 0.0879
Echinococcus granulosus geminin 0.0348 0.0402 1
Entamoeba histolytica transcription factor BTF3, putative 0.0115 0.0113 0.152
Trichomonas vaginalis DNA helicase recq, putative 0.0042 0.0022 0.0109
Brugia malayi jmjC domain containing protein 0.0236 0.0263 0.1539
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0066 0.069
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0051 0.0488
Schistosoma mansoni ap endonuclease 0.0078 0.0066 0.0454
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0078 0.0066 0.1528
Loa Loa (eye worm) intermediate filament protein 0.0114 0.0111 0.0632
Loa Loa (eye worm) hypothetical protein 0.1376 0.1679 1
Brugia malayi 6-phosphofructokinase 0.0112 0.0109 0.0617
Leishmania major cysteinyl-tRNA synthetase, putative 0.0118 0.0116 0.1552
Loa Loa (eye worm) hypothetical protein 0.0078 0.0066 0.0361
Loa Loa (eye worm) runx1 0.0173 0.0184 0.1067
Mycobacterium tuberculosis Probable hydrolase 0.0078 0.0066 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0009 0.012
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0063 0.0048 0.0441
Schistosoma mansoni transcription factor btf3 0.0115 0.0113 0.0804
Schistosoma mansoni glutaminase 0.1103 0.134 1
Chlamydia trachomatis cysteine--tRNA ligase 0.0118 0.0116 0.0904
Trichomonas vaginalis DNA helicase recq, putative 0.0042 0.0022 0.0109
Loa Loa (eye worm) hypothetical protein 0.0063 0.0048 0.0253
Echinococcus granulosus lamin dm0 0.0114 0.0111 0.2668
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0007 0.0048
Mycobacterium ulcerans hypothetical protein 0.0078 0.0066 0.0065
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1214 0.1478 0.1477
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0008 0.0017
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0294 0.0334 0.4508
Echinococcus granulosus lysine specific demethylase 5A 0.0236 0.0263 0.6497
Echinococcus multilocularis lysine specific demethylase 5A 0.0236 0.0263 0.6497
Loa Loa (eye worm) hypothetical protein 0.0053 0.0035 0.0179
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.8073 1 1
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0007 0.0529
Brugia malayi cytoplasmic intermediate filament protein 0.0061 0.0045 0.0239
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0019 0.0258
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0157 0.0165 0.0164
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.0236 0.1378
Giardia lamblia Cysteinyl-tRNA synthetase 0.0118 0.0116 0.1492
Loa Loa (eye worm) phosphofructokinase 0.0112 0.0109 0.0617
Echinococcus granulosus lamin 0.0114 0.0111 0.2668
Echinococcus multilocularis dna polymerase kappa 0.0064 0.005 0.1114
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0042 0.0022 0.0409
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0048 0.0253
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Loa Loa (eye worm) hypothetical protein 0.1376 0.1679 1
Brugia malayi intermediate filament protein 0.0114 0.0111 0.0632
Onchocerca volvulus 0.0078 0.0066 0.0361
Echinococcus multilocularis dna polymerase eta 0.0062 0.0046 0.1032
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0616 0.0735 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0042 0.0022 0.0079
Loa Loa (eye worm) hypothetical protein 0.0078 0.0066 0.0361
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0066 0.044
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.0066 0.0065
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0914 0.1105 0.1104
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0048 0.0253
Loa Loa (eye worm) glutaminase 2 0.1103 0.134 0.7974
Schistosoma mansoni jumonji/arid domain-containing protein 0.0236 0.0263 0.193
Mycobacterium ulcerans hypothetical protein 0.0327 0.0375 0.0374
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.0109 0.1466
Brugia malayi hypothetical protein 0.0233 0.0258 0.1512
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0055 0.0038 0.0819
Onchocerca volvulus 0.0031 0.0008 0.0014
Loa Loa (eye worm) hypothetical protein 0.0055 0.0038 0.0194
Brugia malayi jmjC domain containing protein 0.0063 0.0048 0.0253
Toxoplasma gondii ABC1 family protein 0.0078 0.0066 0.5645
Echinococcus multilocularis JmjC domain containing protein 4 0.0063 0.0048 0.1069
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0046 0.0421
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Trypanosoma brucei DNA polymerase IV, putative 0.0064 0.005 0.067
Plasmodium falciparum JmjC domain-containing protein, putative 0.0063 0.0048 0.4074
Trichomonas vaginalis ap endonuclease, putative 0.0078 0.0066 0.0442
Treponema pallidum cysteinyl-tRNA synthetase 0.0118 0.0116 0.0614
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0087 0.0078 0.0856
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0066 0.044
Echinococcus multilocularis bloom syndrome protein 0.0042 0.0022 0.0409
Brugia malayi jmjC domain containing protein 0.0063 0.0048 0.0253
Loa Loa (eye worm) hypothetical protein 0.0118 0.0116 0.0659
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0063 0.0048 0.4074
Schistosoma mansoni hypothetical protein 0.0047 0.0028 0.0173
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0007 0.0529
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0066 0.044
Loa Loa (eye worm) RecQ helicase 0.0042 0.0022 0.0097
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0078 0.0066 0.0065
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0043 0.0023 0.0292
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.0109 0.0617
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0066 0.069
Leishmania major DNA polymerase eta, putative 0.0037 0.0016 0.02
Trichomonas vaginalis glutaminase, putative 0.1103 0.134 1
Onchocerca volvulus 0.0118 0.0116 0.0659
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0118 0.0116 0.0827
Toxoplasma gondii NAC domain-containing protein 0.0115 0.0113 0.9728
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0008 0.0059
Echinococcus granulosus intermediate filament protein 0.0114 0.0111 0.2668
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0118 0.0116 0.0659
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0118 0.0116 0.2783
Schistosoma mansoni phosphatidylserine receptor 0.0063 0.0048 0.0318
Onchocerca volvulus 0.0078 0.0066 0.0361
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0007 0.0083
Chlamydia trachomatis transglycolase/transpeptidase 0.1046 0.127 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0078 0.0066 0.5663
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0118 0.0116 0.1379
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0914 0.1105 0.1104
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0009 0.012
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.0269 0.1575
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0118 0.0116 0.0659
Schistosoma mansoni terminal deoxycytidyl transferase 0.0036 0.0014 0.0062
Trypanosoma brucei mitochondrial DNA polymerase beta 0.062 0.074 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.005 0.067
Echinococcus granulosus lysine specific demethylase 6a 0.0063 0.0048 0.1069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0075 0.0063 0.0062
Leishmania major hypothetical protein, conserved 0.0063 0.0048 0.0632
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.092 0.1113 0.1112
Onchocerca volvulus 0.0114 0.0111 0.0632
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0066 0.5645
Onchocerca volvulus 0.0114 0.0111 0.0632
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0078 0.0066 0.0065
Brugia malayi jmjC domain containing protein 0.0063 0.0048 0.0253
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0007 0.0529
Entamoeba histolytica recQ family helicase, putative 0.0042 0.0022 0.028
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0001 0.0014
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0301 0.0344 0.0343
Trichomonas vaginalis DNA helicase recq1, putative 0.0042 0.0022 0.0109
Leishmania major DNA polymerase eta, putative 0.0062 0.0046 0.0613
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0066 0.044
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0063 0.0048 0.0645
Loa Loa (eye worm) hypothetical protein 0.0031 0.0008 0.0014
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0042 0.0022 0.1792
Loa Loa (eye worm) hypothetical protein 0.0078 0.0066 0.0361
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0078 0.0066 0.0362
Mycobacterium leprae Probable lipase LipE 0.0078 0.0066 0.0065
Loa Loa (eye worm) hypothetical protein 0.0053 0.0035 0.0179
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.0258 0.6382
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0914 0.1105 0.1104
Trichomonas vaginalis DNA polymerase eta, putative 0.0064 0.005 0.0319
Onchocerca volvulus 0.0078 0.0066 0.0361
Schistosoma mansoni survival motor neuron protein 0.0047 0.0028 0.0173
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.0109 0.0762
Echinococcus multilocularis jumonji domain containing 1A 0.0063 0.0048 0.1069
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0294 0.0334 0.4516
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.0066 0.0065
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0028 0.0138
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0034 0.0246
Toxoplasma gondii hypothetical protein 0.01 0.0094 0.8087
Mycobacterium ulcerans lipase LipD 0.0078 0.0066 0.0065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Mycobacterium ulcerans beta-lactamase 0.0078 0.0066 0.0065
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0048 0.0253
Loa Loa (eye worm) hypothetical protein 0.0112 0.0109 0.0617
Mycobacterium tuberculosis Conserved protein 0.0078 0.0066 0.0065
Onchocerca volvulus 0.009 0.0082 0.0455
Treponema pallidum hypothetical protein 0.0315 0.0361 0.1929
Mycobacterium tuberculosis Conserved hypothetical protein 0.0327 0.0375 0.0374
Treponema pallidum penicillin-binding protein (pbp-1) 0.1046 0.127 0.6789
Trichomonas vaginalis ap endonuclease, putative 0.0078 0.0066 0.0442
Onchocerca volvulus 0.1376 0.1679 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0051 0.0691
Schistosoma mansoni DNA helicase recq5 0.0042 0.0022 0.0121
Mycobacterium leprae conserved hypothetical protein 0.0078 0.0066 0.0065
Loa Loa (eye worm) glutaminase 0.1103 0.134 0.7974
Schistosoma mansoni lozenge 0.0173 0.0184 0.1338
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0064 0.005 0.0319
Schistosoma mansoni lamin 0.0114 0.0111 0.0793
Brugia malayi jmjC domain containing protein 0.0236 0.0263 0.1539
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0616 0.0735 0.5463
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0294 0.0334 0.4396
Echinococcus granulosus bloom syndrome protein 0.0042 0.0022 0.0409
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0036 0.0014 0.0062
Echinococcus granulosus L aminoadipate semialdehyde 0.009 0.0082 0.1922
Echinococcus multilocularis transcription factor btf3 0.0115 0.0113 0.2705
Leishmania major cathepsin L-like protease 0.0066 0.0051 0.0678
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.092 0.1113 0.1112
Trypanosoma brucei DNA polymerase eta, putative 0.0062 0.0046 0.0626
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.0113 0.0792
Trypanosoma brucei transcription factor BTF3, putative 0.0115 0.0113 0.1522

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 16.4 uM Antitumor against human SK-MES1 cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (functional) = 16.4 uM Antitumor against human SK-MES1 cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (functional) = 21.4 uM Antitumor against human HL60 cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (functional) = 21.4 uM Antitumor against human HL60 cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (functional) = 39.6 uM Antitumor against human J82 cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (functional) = 39.6 uM Antitumor against human J82 cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (functional) = 63.2 uM Antitumor against human AGS cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (functional) = 63.2 uM Antitumor against human AGS cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (ADMET) = 95.2 uM Cytotoxicity against human MRC5 cells after 72 hrs by MTT assay ChEMBL. 18299197
IC50 (ADMET) = 95.2 uM Cytotoxicity against human MRC5 cells after 72 hrs by MTT assay ChEMBL. 18299197

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18299197

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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