Detailed information for compound 1700756

Basic information

Technical information
  • TDR Targets ID: 1700756
  • Name: (3S,5S,6S)-1,1-dimethoxy-6-(phenylmethoxy)hep tane-3,5-diol
  • MW: 298.375 | Formula: C16H26O5
  • H donors: 2 H acceptors: 2 LogP: 1.35 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(C[C@H](C[C@@H]([C@@H](OCc1ccccc1)C)O)O)OC
  • InChi: 1S/C16H26O5/c1-12(21-11-13-7-5-4-6-8-13)15(18)9-14(17)10-16(19-2)20-3/h4-8,12,14-18H,9-11H2,1-3H3/t12-,14-,15-/m0/s1
  • InChiKey: WFBQEQDZCXOJBE-QEJZJMRPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S,5S,6S)-6-(benzyloxy)-1,1-dimethoxy-heptane-3,5-diol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0256 0.3167 0.3307
Loa Loa (eye worm) Smad1 0.0017 0.0065 0.0044
Entamoeba histolytica hypothetical protein 0.0037 0.0328 0.0803
Schistosoma mansoni cpg binding protein 0.004 0.0363 0.0381
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0132 0.0132
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0121 0.0103
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0013 0.0022 0.0022
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0022 0.0023
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0144 0.0044
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0184 0.6332
Entamoeba histolytica hypothetical protein 0.0037 0.0328 0.0803
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.048 0.0503
Trichomonas vaginalis importin beta-1, putative 0.0024 0.016 0.0145
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0065 0.0065
Schistosoma mansoni smad1 5 8 and 0.0017 0.0065 0.0068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Schistosoma mansoni hypothetical protein 0.0045 0.0438 0.046
Mycobacterium tuberculosis Conserved protein 0.0038 0.0341 0.0692
Trichomonas vaginalis CAMK family protein kinase 0.0747 0.9532 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0144 0.4761
Trypanosoma brucei squalene synthase, putative 0.0242 0.2987 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0278 0.0278
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0341 0.0734
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0081 0.0895 0.0895
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0152 0.032
Schistosoma mansoni microtubule-associated protein tau 0.0726 0.9262 0.9717
Schistosoma mansoni hypothetical protein 0.0175 0.2118 0.2222
Echinococcus granulosus zinc finger protein 0.0045 0.0433 0.0454
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0747 0.9532 0.9532
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0341 0.0692
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0022 0.0023
Schistosoma mansoni cpg binding protein 0.004 0.0363 0.0381
Toxoplasma gondii ABC1 family protein 0.0038 0.0341 0.4444
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0132 0.0138
Onchocerca volvulus 0.0033 0.0284 0.0275
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Echinococcus granulosus Smad4 0.0017 0.0065 0.0068
Brugia malayi beta-lactamase 0.0038 0.0341 0.0335
Brugia malayi Heterochromatin protein 1 0.0081 0.0903 0.0926
Loa Loa (eye worm) hypothetical protein 0.0122 0.143 0.148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0081 0.0895 0.0939
Echinococcus granulosus Chromobox protein 3 0.0013 0.0022 0.0023
Loa Loa (eye worm) hypothetical protein 0.0038 0.0341 0.0335
Schistosoma mansoni hypothetical protein 0.0477 0.6031 0.6327
Giardia lamblia Fructose-bisphosphate aldolase 0.0308 0.3837 0.3941
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0132 0.1524
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0133 0.1576 0.1654
Schistosoma mansoni hypothetical protein 0.0013 0.0022 0.0023
Brugia malayi Latrophilin receptor protein 2 0.0081 0.09 0.0923
Brugia malayi RNA binding protein 0.0068 0.0725 0.0739
Echinococcus granulosus cpg binding protein 0.004 0.0363 0.0381
Schistosoma mansoni hypothetical protein 0.0037 0.0328 0.0345
Schistosoma mansoni smad 0.0017 0.0065 0.0068
Brugia malayi Calcitonin receptor-like protein seb-1 0.0256 0.3167 0.3307
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0144 0.0044
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0725 0.0725
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0065 0.0044
Loa Loa (eye worm) hypothetical protein 0.0038 0.0341 0.0335
Echinococcus granulosus geminin 0.0692 0.8814 0.9247
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0121 0.0103
Loa Loa (eye worm) hypothetical protein 0.009 0.1011 0.104
Schistosoma mansoni cpg binding protein 0.0033 0.0284 0.0298
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0278 0.0514
Echinococcus multilocularis Chromo domain 0.0013 0.0022 0.0022
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0278 0.0278
Entamoeba histolytica Ran family GTPase 0.0022 0.0132 0.0287
Schistosoma mansoni ran 0.0022 0.0132 0.0138
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.0278 1
Echinococcus multilocularis zinc finger protein 0.0045 0.0433 0.0433
Echinococcus multilocularis chromobox protein 1 0.0081 0.0903 0.0903
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0184 0.0185
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0341 0.0358
Schistosoma mansoni chromobox protein 0.0081 0.0903 0.0947
Mycobacterium ulcerans hypothetical protein 0.0038 0.0341 0.1191
Trypanosoma cruzi phytoene synthase, putative 0.0075 0.0828 0.2438
Echinococcus granulosus fetal alzheimer antigen falz 0.0051 0.0517 0.0543
Brugia malayi Bromodomain containing protein 0.0167 0.2012 0.2093
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0341 0.0692
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0038 0.0336 0.0336
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0068 0.0048
Loa Loa (eye worm) hypothetical protein 0.0036 0.0313 0.0305
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.09 0.0923
Trypanosoma brucei unspecified product 0.0023 0.0152 0.032
Mycobacterium ulcerans phytoene synthase, CrtB 0.0075 0.0828 0.4135
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0152 0.0027
Mycobacterium ulcerans beta-lactamase 0.0038 0.0341 0.1191
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0328 0.0345
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0184 0.0185
Schistosoma mansoni DNA polymerase eta 0.0023 0.0152 0.0159
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0152 0.032
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0747 0.9532 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0152 0.0159
Loa Loa (eye worm) hypothetical protein 0.0096 0.109 0.1123
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.044 0.0439
Entamoeba histolytica hypothetical protein 0.0037 0.0328 0.0803
Loa Loa (eye worm) hypothetical protein 0.0084 0.0944 0.0969
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0019 0.0101 0.0106
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.0278 0.0292
Brugia malayi MH2 domain containing protein 0.0017 0.0065 0.0044
Loa Loa (eye worm) bromodomain containing protein 0.0039 0.0353 0.0348
Trypanosoma cruzi squalene synthase, putative 0.0242 0.2987 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0065 0.0044
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0341 0.1191
Loa Loa (eye worm) beta-lactamase 0.0038 0.0341 0.0335
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0152 0.0159
Brugia malayi chromobox protein homolog 3 0.0046 0.044 0.0439
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0345 0.0362
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0081 0.0895 0.0939
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0144 0.0144
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0144 0.0013
Schistosoma mansoni importin beta-1 0.003 0.0233 0.0244
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Loa Loa (eye worm) hypothetical protein 0.0081 0.09 0.0923
Brugia malayi Importin beta-1 subunit 0.003 0.0233 0.0221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Echinococcus granulosus biogenic amine 5HT receptor 0.0122 0.143 0.15
Brugia malayi SET domain containing protein 0.0014 0.0032 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0081 0.0895 0.0939
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0341 0.0335
Brugia malayi MH1 domain containing protein 0.0017 0.0065 0.0044
Schistosoma mansoni hypothetical protein 0.0081 0.09 0.0944
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.0278 0.0292
Echinococcus granulosus chromobox protein 1 0.0081 0.0903 0.0947
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0121 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Echinococcus multilocularis geminin 0.0692 0.8814 0.8814
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0278 0.357
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0328 0.0345
Leishmania major hypothetical protein, conserved 0.0026 0.0184 0.0185
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0341 0.0692
Entamoeba histolytica hypothetical protein 0.0024 0.016 0.0362
Mycobacterium ulcerans lipase LipD 0.0038 0.0341 0.1191
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.3837 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0233 0.0595
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0152 0.0047
Echinococcus granulosus microtubule associated protein 2 0.0726 0.9262 0.9717
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0152 0.0071
Echinococcus multilocularis snurportin 1 0.0315 0.3935 0.3935
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0278 0.0278
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.09 0.0944
Plasmodium falciparum importin beta, putative 0.003 0.0233 0.8212
Echinococcus granulosus smad 0.0017 0.0065 0.0068
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0132 0.0115
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0341 0.0335
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0341 0.0335
Mycobacterium tuberculosis Conserved protein 0.0038 0.0341 0.0692
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0144 0.0294
Echinococcus multilocularis cpg binding protein 0.004 0.0363 0.0363
Echinococcus granulosus chromobox protein 2 0.0013 0.0022 0.0023
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0144 0.0044
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.2999 0.313
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0341 0.0692
Brugia malayi MH1 domain containing protein 0.0017 0.0065 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Brugia malayi Isocitrate dehydrogenase 0.0033 0.0278 0.0269
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0233 0.0595
Loa Loa (eye worm) hypothetical protein 0.0023 0.0152 0.0136
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.016 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0268 0.0258
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0725 0.0739
Echinococcus multilocularis Smad4 0.0017 0.0065 0.0065
Echinococcus granulosus GPCR family 2 0.0081 0.09 0.0944
Schistosoma mansoni ran 0.0022 0.0132 0.0138
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0903 0.0926
Leishmania major hypothetical protein, conserved 0.0038 0.0341 0.0734
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Brugia malayi PHD-finger family protein 0.0057 0.0585 0.0591
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0152 0.0136
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0184 0.2261
Onchocerca volvulus 0.0038 0.0341 0.0335
Echinococcus multilocularis chromobox protein 2 0.0013 0.0022 0.0022
Echinococcus granulosus methyl CpG binding domain protein 2 0.0038 0.0336 0.0353
Echinococcus granulosus Chromo domain 0.0013 0.0022 0.0023
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0132 0.4267
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0033 0.0278 0.0472
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.0278 0.0514
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0341 0.0358
Echinococcus multilocularis dnaJ subfamily B 0.0477 0.6031 0.6031
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0152 0.034
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0132 0.025
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.077 0.0808
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0152 0.032
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0341 0.0335
Onchocerca volvulus 0.0049 0.048 0.0481
Loa Loa (eye worm) hypothetical protein 0.0049 0.048 0.0481
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0133 0.1576 0.1576
Plasmodium vivax importin-beta 2, putative 0.003 0.0233 0.6598
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0725 0.0761
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0152 0.032
Onchocerca volvulus 0.0036 0.0313 0.0305
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0341 0.0341
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0144 0.0128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0345 0.0362
Loa Loa (eye worm) hypothetical protein 0.0175 0.2118 0.2203
Brugia malayi MH2 domain containing protein 0.0243 0.2999 0.313
Giardia lamblia Kinase, TTK 0.0747 0.9532 1
Echinococcus multilocularis GPCR, family 2 0.0081 0.09 0.09
Loa Loa (eye worm) hypothetical protein 0.0038 0.0345 0.034
Toxoplasma gondii exonuclease III APE 0.0023 0.0144 0.17
Loa Loa (eye worm) TTK protein kinase 0.0747 0.9532 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.015 0.1797 0.5815
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.044 0.0439
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0065 0.0068
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0152 0.0071
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0903 0.0926
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0341 0.0335
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.3935 0.4114
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0022 0.0023
Loa Loa (eye worm) hypothetical protein 0.0026 0.0184 0.0171
Brugia malayi hypothetical protein 0.0037 0.0328 0.0322
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0233 0.2932
Schistosoma mansoni hypothetical protein 0.0081 0.09 0.0944
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0121 0.0103
Trypanosoma brucei ISWI complex protein 0.0034 0.0286 0.0778
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0152 0.0159
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.2999 0.313
Echinococcus granulosus Squalene phytoene synthase 0.0075 0.0828 0.0868
Leishmania major DNA polymerase eta, putative 0.0023 0.0152 0.0071
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0184 0.5087
Loa Loa (eye worm) hypothetical protein 0.0256 0.3167 0.3307
Loa Loa (eye worm) CHromoDomain protein family member 0.0019 0.0101 0.0083
Onchocerca volvulus 0.0038 0.0341 0.0335
Loa Loa (eye worm) hypothetical protein 0.0038 0.0341 0.0335
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0328 0.0328
Schistosoma mansoni zinc finger protein 0.0034 0.0286 0.03
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0121 0.0103
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.015 0.1797 1
Brugia malayi hypothetical protein 0.0017 0.0066 0.0046
Echinococcus granulosus tar DNA binding protein 0.0068 0.0725 0.0761
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0051 0.0517 0.0543
Brugia malayi CXXC zinc finger family protein 0.0033 0.0284 0.0275
Loa Loa (eye worm) hypothetical protein 0.0156 0.1866 0.1938
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0075 0.0828 0.0847
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0221
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0121 0.0103
Schistosoma mansoni methyl-cpg binding protein mbd 0.0038 0.0336 0.0353
Trypanosoma cruzi ISWI complex protein 0.0034 0.0286 0.0541
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.015 0.1797 1
Echinococcus multilocularis chromobox protein 1 0.0081 0.0903 0.0903
Brugia malayi beta-lactamase family protein 0.0038 0.0341 0.0335
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.0278 0.0752
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0485 0.0487
Echinococcus multilocularis dna polymerase eta 0.0023 0.0152 0.0152
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0144 0.0151
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0081 0.0895 0.0939
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0184 0.0431
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0075 0.0055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0081 0.0895 0.0917
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0144 0.0128
Brugia malayi beta-lactamase family protein 0.0038 0.0341 0.0335
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.0278 0.8034
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0284 0.0275
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0256 0.3167 0.3307
Loa Loa (eye worm) PHD-finger family protein 0.0045 0.0438 0.0437
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0725 0.0761
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0079 0.0874 0.0917
Loa Loa (eye worm) hypothetical protein 0.0038 0.0341 0.0335
Onchocerca volvulus 0.0038 0.0341 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Echinococcus granulosus dnaJ subfamily B 0.0477 0.6031 0.6327
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0341 0.0335
Brugia malayi hypothetical protein 0.0026 0.0184 0.0171
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0152 0.0071
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.016 0.0145
Schistosoma mansoni zinc finger protein 0.0045 0.0433 0.0454
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0341 0.0966
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0152 0.0152
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0341 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0341 0.1191
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0121 0.0103
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0485 0.0487
Brugia malayi CHD4 protein 0.0019 0.0101 0.0083
Brugia malayi latrophilin 2 splice variant baaae 0.0175 0.2118 0.2203
Leishmania major importin beta-1 subunit, putative 0.0024 0.016 0.01
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0144 0.0128
Onchocerca volvulus 0.0014 0.0032 0.001
Schistosoma mansoni methyl-cpg binding protein mbd 0.0038 0.0336 0.0353
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0121 0.0103
Loa Loa (eye worm) hypothetical protein 0.0038 0.0341 0.0335
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0152 0.0071
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.09 0.09
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0019 0.0101 0.0106
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0132 0.0115
Loa Loa (eye worm) hypothetical protein 0.0038 0.0341 0.0335
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0152 0.0071
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.3837 1
Schistosoma mansoni hypothetical protein 0.0034 0.0286 0.03
Brugia malayi RNA, U transporter 1 0.0084 0.0938 0.0963
Echinococcus granulosus tumor protein p63 0.0332 0.4153 0.4356
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0152 0.0047
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0152 0.0027
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0747 0.9532 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0341 0.0692
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0075 0.0055
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0152 0.0071
Echinococcus granulosus chromobox protein 1 0.0081 0.0903 0.0947
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0725 0.0761
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0152 0.0136
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Trichomonas vaginalis esterase, putative 0.0038 0.0341 0.0335
Schistosoma mansoni chromobox protein 0.0013 0.0022 0.0023
Leishmania major DNA polymerase kappa, putative 0.0023 0.0152 0.0071
Echinococcus granulosus dna polymerase eta 0.0023 0.0152 0.0159
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0013 0.0022 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0019 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0692 0.8814 0.9247
Trichomonas vaginalis ran, putative 0.0022 0.0132 0.0115
Leishmania major hypothetical protein, conserved 0.0075 0.0828 0.2438
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.2987 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0081 0.0895 0.0895
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0725 0.0739
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0341 0.0335
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.0903 0.0926
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3837 0.4011
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0184 0.6332
Loa Loa (eye worm) hypothetical protein 0.0122 0.143 0.148
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Schistosoma mansoni hypothetical protein 0.0075 0.0828 0.0868
Brugia malayi MH2 domain containing protein 0.0017 0.0065 0.0044
Schistosoma mansoni smad1 5 8 and 0.0017 0.0065 0.0068
Trichomonas vaginalis CAMK family protein kinase 0.0747 0.9532 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0341 0.0734
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0132 0.3428
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0725 0.0761
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0278 0.357
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0341 0.0692
Echinococcus multilocularis serotonin receptor 0.0122 0.143 0.143
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0152 0.032
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0075 0.0828 0.2404
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.0037 0.0015
Echinococcus multilocularis microtubule associated protein 2 0.0726 0.9262 0.9262
Schistosoma mansoni bromodomain containing protein 0.0141 0.1678 0.1761
Echinococcus multilocularis serotonin receptor 0.0122 0.143 0.143
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0485 0.0487
Schistosoma mansoni Smad4 0.0017 0.0065 0.0068
Schistosoma mansoni chromobox protein 0.0081 0.0903 0.0947
Brugia malayi Smad1 0.0017 0.0065 0.0044
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0278 0.0514
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0341 0.0692
Brugia malayi Protein kinase domain containing protein 0.0747 0.9532 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0152 0.0022
Loa Loa (eye worm) RNA binding protein 0.0068 0.0725 0.0739
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.09 0.0944
Schistosoma mansoni chromobox protein 0.0013 0.0022 0.0023
Echinococcus multilocularis Squalene phytoene synthase 0.0075 0.0828 0.0828
Schistosoma mansoni hypothetical protein 0.0081 0.09 0.0944
Echinococcus granulosus histone lysine methyltransferase setb 0.0038 0.0345 0.0362
Echinococcus granulosus importin subunit beta 1 0.003 0.0233 0.0244
Leishmania major squalene synthase, putative 0.0242 0.2987 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0144 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0725 0.0761
Brugia malayi Bromodomain containing protein 0.0084 0.0942 0.0967
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0144 0.3825
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0152 0.0136
Leishmania major hypothetical protein, conserved 0.0034 0.0286 0.0541
Echinococcus granulosus snurportin 1 0.0315 0.3935 0.4128
Schistosoma mansoni biogenic amine (5HT) receptor 0.0122 0.143 0.15
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0725 0.0739
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0051 0.0517 0.0517
Loa Loa (eye worm) hypothetical protein 0.0075 0.0828 0.0847
Trypanosoma cruzi ISWI complex protein 0.0034 0.0286 0.0541
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.0278 0.0269
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0747 0.9532 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.074 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0268 0.0258
Schistosoma mansoni hypothetical protein 0.0081 0.09 0.0944
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0144 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0081 0.0895 0.0939
Schistosoma mansoni smad1 5 8 and 0.0017 0.0065 0.0068
Mycobacterium tuberculosis Conserved protein 0.0038 0.0341 0.0692
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0032 0.0033
Echinococcus multilocularis importin subunit beta 1 0.003 0.0233 0.0233
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.016 0.0145
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0038 0.0345 0.0345
Brugia malayi isocitrate dehydrogenase 0.0033 0.0278 0.0269
Trypanosoma cruzi squalene synthase, putative 0.0242 0.2987 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0341 0.0358
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.09 0.0923
Schistosoma mansoni hypothetical protein 0.0692 0.8814 0.9247
Loa Loa (eye worm) hypothetical protein 0.0046 0.044 0.0439
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0152 0.0136
Schistosoma mansoni hypothetical protein 0.0315 0.3935 0.4128
Treponema pallidum fructose-bisphosphate aldolase 0.0308 0.3837 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0079 0.0874 0.0874
Echinococcus granulosus dna polymerase kappa 0.0023 0.0152 0.0159
Schistosoma mansoni ap endonuclease 0.0023 0.0144 0.0151
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.09 0.09
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0065 0.0068
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0278 0.0752
Echinococcus multilocularis tumor protein p63 0.0332 0.4153 0.4153
Echinococcus multilocularis Chromobox protein 3 0.0013 0.0022 0.0022
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0081 0.0895 0.0917
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.0278 0.0278
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0152 0.0152
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.0278 0.0278
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0065 0.0068
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0152 0.0136
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0065 0.0065
Echinococcus multilocularis smad 0.0017 0.0065 0.0065
Entamoeba histolytica hypothetical protein 0.0037 0.0328 0.0803
Brugia malayi TAR-binding protein 0.0068 0.0725 0.0739
Schistosoma mansoni ap endonuclease 0.0023 0.0144 0.0151
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.044 0.0439
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0144 0.032

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.1582 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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