Detailed information for compound 1558654

Basic information

Technical information
  • TDR Targets ID: 1558654
  • Name: methyl 5-[(2-oxochromen-7-yl)oxymethyl]furan- 2-carboxylate
  • MW: 300.263 | Formula: C16H12O6
  • H donors: 0 H acceptors: 2 LogP: 2.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(o1)COc1ccc2c(c1)oc(=O)cc2
  • InChi: 1S/C16H12O6/c1-19-16(18)13-6-5-12(21-13)9-20-11-4-2-10-3-7-15(17)22-14(10)8-11/h2-8H,9H2,1H3
  • InChiKey: BMFNFZCSBJYODL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2-oxo-7-chromenyl)oxymethyl]-2-furancarboxylic acid methyl ester
  • 5-[(2-ketochromen-7-yl)oxymethyl]furan-2-carboxylic acid methyl ester
  • STOCK1N-19983
  • ZINC00200908
  • EU-0080197
  • Oprea1_371295
  • ChemDiv2_001297

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.2517 0.398
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0519 0.1726
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0016 0.0073 0.013
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0303 0.0468
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0018 0.0015
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0133 0.05
Onchocerca volvulus Putative thymidylate kinase 0.0077 0.0701 0.2722
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0242 0.3352
Brugia malayi Bromodomain containing protein 0.0082 0.0751 0.2933
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0175 0.1715 0.2622
Leishmania major cytidine deaminase-like protein 0.0054 0.0466 0.1521
Onchocerca volvulus 0.0028 0.0196 0.0711
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0275 0.0998
Trypanosoma brucei thymidine kinase 0.0267 0.2662 1
Schistosoma mansoni ap endonuclease 0.0022 0.0133 0.0237
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0018 0.0032
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.2517 0.2511
Echinococcus multilocularis solute carrier family 28 0.0348 0.3494 0.3489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.02 0.0713
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0133 0.0232
Schistosoma mansoni hypothetical protein 0.0016 0.0075 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0203 0.0724
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0048 0.0402 0.1066
Schistosoma mansoni hypothetical protein 0.0551 0.5588 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0174 0.0616
Echinococcus multilocularis Glycosyl transferase, family 35 0.023 0.2279 0.2273
Entamoeba histolytica hypothetical protein 0.0039 0.0303 0.0675
Loa Loa (eye worm) thymidylate kinase 0.0077 0.0701 0.2764
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0203 0.0724
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0054 0.0466 0.0619
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0175 0.1715 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0077 0.0701 0.0995
Brugia malayi cytidine deaminase, identical 0.0054 0.0466 0.1795
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0081 0.0073
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.0073 0.0102
Brugia malayi hypothetical protein 0.0253 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0687 0.2708
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0081 0.0292
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0251 0.249 0.9891
Chlamydia trachomatis glycogen phosphorylase 0.023 0.2279 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0018 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0203 0.0724
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0054 0.0466 0.1521
Loa Loa (eye worm) hypothetical protein 0.0041 0.033 0.1285
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0301 0.0883
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0018 0.001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0233
Schistosoma mansoni thymidylate kinase 0.0077 0.0701 0.1254
Trichomonas vaginalis thymidylate kinase, putative 0.0077 0.0701 0.2603
Echinococcus granulosus thymidine phosphorylase 0.0622 0.6314 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0519 0.0512
Schistosoma mansoni bromodomain containing protein 0.0069 0.0621 0.1112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0018 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0402 0.1477
Echinococcus granulosus geminin 0.0551 0.5588 0.8849
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0081 0.1012
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0077 0.0701 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0301 0.1094
Giardia lamblia Cytidine deaminase 0.0054 0.0466 0.1319
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0081 0.0073
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0582 0.091
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0048 0.0402 0.0395
Giardia lamblia Thymidine kinase 0.0267 0.2662 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0228 0.0821
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0018 0.0032
Trypanosoma cruzi cytidine deaminase-like protein 0.0054 0.0466 0.1521
Echinococcus granulosus glycogen phosphorylase 0.023 0.2279 0.3602
Schistosoma mansoni coup transcription factor 0.0011 0.0018 0.0032
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0094 0.0169
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0018 0.0042
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042
Toxoplasma gondii exonuclease III APE 0.0022 0.0133 0.1767
Trichomonas vaginalis thymidine kinase, putative 0.0267 0.2662 1
Entamoeba histolytica glycogen phosphorylase, putative 0.023 0.2279 0.8485
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042
Giardia lamblia CDC8 0.0077 0.0701 0.2247
Echinococcus granulosus solute carrier family 28 0.0348 0.3494 0.5528
Entamoeba histolytica glycogenphosphorylase, putative 0.01 0.0932 0.316
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0303 0.0295
Plasmodium vivax thymidylate kinase, putative 0.0077 0.0701 1
Echinococcus multilocularis geminin 0.0551 0.5588 0.5584
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0172 0.0164
Brugia malayi Bromodomain containing protein 0.0041 0.0329 0.1245
Giardia lamblia Glycogen phosphorylase 0.023 0.2279 0.8485
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0018 0.001
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0141 0.0264
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0081 0.0115
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0519 0.093
Schistosoma mansoni hypothetical protein 0.0052 0.0439 0.0785
Loa Loa (eye worm) hypothetical protein 0.0047 0.0394 0.1539
Onchocerca volvulus 0.0054 0.0466 0.1787
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0018 0.0032
Entamoeba histolytica cytidine deaminase, putative 0.0054 0.0466 0.1319
Schistosoma mansoni cpg binding protein 0.0032 0.0234 0.0419
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0174 0.0616
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0275 0.0998
Brugia malayi CXXC zinc finger family protein 0.0028 0.0196 0.0714
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0348 0.3494 0.3489
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0054 0.0466 0.6602
Echinococcus granulosus cpg binding protein 0.0032 0.0234 0.0358
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0018 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0174 0.0615
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0018 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0519 0.0626
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0014
Schistosoma mansoni hypothetical protein 0.0022 0.0134 0.024
Echinococcus multilocularis cytidine deaminase 0.0054 0.0466 0.0459
Trypanosoma brucei thymidylate kinase, putative 0.0077 0.0701 0.2427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0174 0.0616
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0081 0.0144
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0018 0.001
Entamoeba histolytica thymidine kinase, putative 0.0267 0.2662 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0048 0.0402 0.1274
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0048 0.0402 0.072
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0094 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0174 0.0615
Trichomonas vaginalis set domain proteins, putative 0.0254 0.2528 0.9495
Schistosoma mansoni hypothetical protein 0.0077 0.0701 0.1254
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0519 0.7371
Brugia malayi follicle stimulating hormone receptor 0.0251 0.249 0.989
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0018 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0233
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0172 0.0307
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0018 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0174 0.0615
Leishmania major thymidine kinase, putative 0.0267 0.2662 1
Trichomonas vaginalis cytidine deaminase, putative 0.0054 0.0466 0.1719
Loa Loa (eye worm) glycogen phosphorylase 0.023 0.2279 0.9051
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0133 0.046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0301 0.1094
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.01 0.0932 0.1366
Leishmania major hypothetical protein, conserved 0.003 0.0218 0.0562
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0242 0.0433
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.0301 0.0883
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0133 0.046
Treponema pallidum thymidylate kinase (tmk) 0.0077 0.0701 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0275 0.0998
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0133 0.0232
Echinococcus granulosus thymidylate kinase 0.0077 0.0701 0.1099
Onchocerca volvulus 0.0254 0.2528 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0018 0.001
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0196 0.0753
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0018 0.0042
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0112 0.0153
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0133 0.0125
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0133 0.0198
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.043 0.077
Onchocerca volvulus 0.0054 0.0466 0.1787
Echinococcus granulosus glycogen phosphorylase 0.023 0.2279 0.3602
Schistosoma mansoni thymidylate kinase 0.0077 0.0701 0.1254
Plasmodium vivax SET domain protein, putative 0.0033 0.0242 0.2604
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.043 0.077
Trypanosoma cruzi thymidine kinase, putative 0.0267 0.2662 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0073 0.026
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0101 0.0374
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0348 0.3494 0.5528
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0018 0.001
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0582 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0402 0.1477
Trichomonas vaginalis thymidylate kinase, putative 0.0077 0.0701 0.2603
Entamoeba histolytica glycogen phosphorylase, putative 0.01 0.0932 0.316
Trichomonas vaginalis thymidine kinase, putative 0.0267 0.2662 1
Schistosoma mansoni hypothetical protein 0.0551 0.5588 1
Schistosoma mansoni zinc finger protein 0.0023 0.0139 0.0248
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0018 0.001
Schistosoma mansoni hypothetical protein 0.0039 0.0303 0.0543
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.043 0.0423
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0048 0.0402 0.1274
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0018 0.0032
Schistosoma mansoni survival motor neuron protein 0.0052 0.0439 0.0785
Entamoeba histolytica hypothetical protein 0.0039 0.0303 0.0675
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0028 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0039 0.0108
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0348 0.3494 0.5528
Mycobacterium ulcerans cytidine deaminase 0.0054 0.0466 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0239 0.0861
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0094 0.0169
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0081 0.0031
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0018 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0301 0.1094
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0134 0.0505
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0081 0.0031
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0519 0.093
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0303 0.0296
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0018 0.001
Echinococcus granulosus zinc finger protein 0.0023 0.0139 0.0207
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0227 0.2246 0.224
Onchocerca volvulus Glycogen phosphorylase homolog 0.023 0.2279 0.9008
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0081 0.0031
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0018 0.0032
Brugia malayi Pre-SET motif family protein 0.0033 0.0242 0.0898
Brugia malayi thymidylate kinase 0.0077 0.0701 0.2733
Trypanosoma brucei ISWI complex protein 0.0016 0.0075 0.001
Trypanosoma cruzi thymidylate kinase, putative 0.0077 0.0701 0.2427
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042
Mycobacterium ulcerans thymidine phosphorylase 0.0622 0.6314 1
Trypanosoma cruzi ISWI complex protein 0.0016 0.0075 0.001
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0018 0.0015
Trypanosoma cruzi thymidylate kinase, putative 0.0077 0.0701 0.2427
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0242 0.0234
Schistosoma mansoni hypothetical protein 0.0055 0.0477 0.0854
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0018 0.0015
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0303 0.0543
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0303 0.0468
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.003 0.0218 0.0562
Schistosoma mansoni glycogen phosphorylase 0.023 0.2279 0.4079
Schistosoma mansoni glycogen phosphorylase 0.023 0.2279 0.4079
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0048 0.0402 0.1274
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0242 0.0433
Leishmania major thymidylate kinase-like protein 0.0077 0.0701 0.2427
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0133 0.084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0301 0.1094
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0622 0.6314 1
Echinococcus granulosus cytidine deaminase 0.0054 0.0466 0.0727
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0133 0.0084
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0175 0.1715 0.256
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0081 0.0031
Echinococcus multilocularis thymidine phosphorylase 0.0622 0.6314 0.6311
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0133 0.0232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.033 0.1203
Entamoeba histolytica Thymidylate kinase, putative 0.0077 0.0701 0.2247
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.0073 0.0219
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.0073 0.0065
Trichomonas vaginalis glycogen phosphorylase, putative 0.023 0.2279 0.8555
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0081 0.0073
Brugia malayi carbohydrate phosphorylase 0.023 0.2279 0.9047
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0494 0.7002
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.0301 0.0883
Schistosoma mansoni cpg binding protein 0.0028 0.0196 0.0351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0275 0.0998
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0172 0.0259
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0275 0.0998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0402 0.1477
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0018 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0018 0.0042
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0081 0.0073
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0018 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0233
Loa Loa (eye worm) phosphatidylinositol 3 0.0048 0.0402 0.1574
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0048 0.0402 0.1066
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0081 0.0251
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0018 0.0015
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0081 0.0073
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0519 0.0704
Schistosoma mansoni glycogen phosphorylase 0.01 0.0932 0.1668
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0133 0.0232
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0018 0.0032
Echinococcus multilocularis glycogen phosphorylase 0.023 0.2279 0.2273
Echinococcus multilocularis thymidylate kinase 0.0077 0.0701 0.0693
Brugia malayi hypothetical protein 0.0039 0.0303 0.1143
Loa Loa (eye worm) histone methyltransferase 0.001 0.0008 0.0003
Onchocerca volvulus 0.0052 0.0439 0.1677
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0519 0.0626
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0224 0.0342
Giardia lamblia GTOR 0.0048 0.0402 0.1066
Brugia malayi PHD-finger family protein 0.0028 0.0198 0.072
Brugia malayi Pre-SET motif family protein 0.0224 0.2211 0.8773
Schistosoma mansoni zinc finger protein 0.0016 0.0075 0.0134
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0081 0.0031
Echinococcus multilocularis glycogen phosphorylase 0.023 0.2279 0.2273
Trypanosoma cruzi thymidine kinase, putative 0.0267 0.2662 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0018 0.001
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0018 0.0032
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0133 0.046
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0133 0.084
Echinococcus granulosus Glycosyl transferase family 35 0.023 0.2279 0.3602
Toxoplasma gondii thymidylate kinase 0.0077 0.0701 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0018 0.0042
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.2211 0.8778
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0018 0.0015
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.01 0.0932 0.1293
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0018 0.001
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0048 0.0402 0.0625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0233
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0018 0.0042
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0519 0.0811
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0519 0.0626
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0048 0.0402 0.1539
Loa Loa (eye worm) hypothetical protein 0.0051 0.043 0.1686
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0534 0.0955
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0275 0.3832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.02 0.0713
Mycobacterium ulcerans thymidylate kinase 0.0077 0.0701 0.0919
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0018 0.0015
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.003 0.0218 0.0562
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0439 0.1684
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0048 0.0402 0.1274
Trypanosoma brucei thymidylate kinase, putative 0.0077 0.0701 0.2427
Trichomonas vaginalis thymidine kinase, putative 0.0267 0.2662 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.2517 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0018 0.0032
Brugia malayi isocitrate dehydrogenase 0.0017 0.0081 0.0251
Entamoeba histolytica hypothetical protein 0.0039 0.0303 0.0675
Schistosoma mansoni ap endonuclease 0.0022 0.0133 0.0237
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0077 0.0701 0.1879
Entamoeba histolytica glycogen phosphorylase, putative 0.01 0.0932 0.316
Trypanosoma brucei cytidine deaminase 0.0054 0.0466 0.1521
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0174 0.0616
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0018 0.0032
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0048 0.0402 0.1274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0301 0.1094
Trichomonas vaginalis glycogen phosphorylase, putative 0.023 0.2279 0.8555
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.043 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0275 0.0998
Leishmania major hypothetical protein, conserved 0.0016 0.0075 0.001
Entamoeba histolytica hypothetical protein 0.0039 0.0303 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0275 0.0998
Plasmodium falciparum thymidylate kinase 0.0077 0.0701 1
Entamoeba histolytica glycogen phosphorylase, putative 0.023 0.2279 0.8485
Schistosoma mansoni cpg binding protein 0.0032 0.0234 0.0419
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0233
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0094 0.0087
Trichomonas vaginalis cytidine deaminase, putative 0.0054 0.0466 0.1719
Echinococcus multilocularis cpg binding protein 0.0032 0.0234 0.0226
Echinococcus multilocularis zinc finger protein 0.0023 0.0139 0.0131
Onchocerca volvulus 0.0033 0.0242 0.0894
Loa Loa (eye worm) hypothetical protein 0.0044 0.0356 0.1389
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0081 0.1012
Trypanosoma cruzi ISWI complex protein 0.0016 0.0075 0.001
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0048 0.0402 0.1274
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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