Detailed information for compound 1198421

Basic information

Technical information
  • TDR Targets ID: 1198421
  • Name: ethyl 5-hydroxy-1,2-dimethyl-4,6-dinitroindol e-3-carboxylate
  • MW: 323.258 | Formula: C13H13N3O7
  • H donors: 1 H acceptors: 6 LogP: 2.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)n(c2c1c([N+](=O)[O-])c(O)c(c2)[N+](=O)[O-])C
  • InChi: 1S/C13H13N3O7/c1-4-23-13(18)9-6(2)14(3)7-5-8(15(19)20)12(17)11(10(7)9)16(21)22/h5,17H,4H2,1-3H3
  • InChiKey: PBNUPOARCGPMPA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 5-hydroxy-1,2-dimethyl-4,6-dinitro-indole-3-carboxylate
  • 5-hydroxy-1,2-dimethyl-4,6-dinitro-3-indolecarboxylic acid ethyl ester
  • 5-hydroxy-1,2-dimethyl-4,6-dinitro-indole-3-carboxylic acid ethyl ester
  • CBDivE_000225
  • 5-Hydroxy-1,2-dimethyl-4,6-dinitro-1H-indole-3-carboxylic acid ethyl ester
  • MLS000777553
  • SMR000413947
  • STOCK1S-09306
  • Oprea1_738042

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0064 0.0626 0.0561
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.2124 0.6375
Schistosoma mansoni hypothetical protein 0.0411 0.4849 0.4813
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0069 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0285 0.332 1
Trichomonas vaginalis conserved hypothetical protein 0.0188 0.2133 0.6402
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.1427 0.4296
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0025
Schistosoma mansoni hypothetical protein 0.0064 0.0626 0.0561
Loa Loa (eye worm) hypothetical protein 0.0064 0.0626 0.1882
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0381 0.0314
Brugia malayi latrophilin 2 splice variant baaae 0.0139 0.1537 0.4627
Loa Loa (eye worm) hypothetical protein 0.0193 0.2197 0.6617
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0439 0.0439
Brugia malayi hypothetical protein 0.0021 0.0103 0.0306
Echinococcus multilocularis RUN 0.0021 0.0103 0.0103
Echinococcus granulosus peregrin 0.0035 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0203 0.2322 0.6992
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0205 0.0611
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0322 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.0205 0.0611
Trichomonas vaginalis glucosylceramidase, putative 0.0285 0.332 1
Schistosoma mansoni lipoxygenase 0.006 0.0575 0.0509
Onchocerca volvulus Glucosylceramidase homolog 0.0187 0.2124 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0069 0.1626
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0322 0.0913
Echinococcus granulosus lamin dm0 0.003 0.0205 0.0205
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0193 0.0576
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0626 0.1882
Schistosoma mansoni alpha-glucosidase 0.0153 0.1704 0.1646
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0361 0.0361
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0069 0.0069
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0103 0.0306
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0322 1
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0036 0.0103
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0381 0.0314
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0626 0.0626
Onchocerca volvulus Alhambra homolog 0.0035 0.0271 0.119
Giardia lamblia PHD finger protein 15 0.0035 0.0271 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0381 0.1143
Echinococcus multilocularis GPCR, family 2 0.0064 0.0626 0.0626
Echinococcus multilocularis lamin dm0 0.003 0.0205 0.0205
Onchocerca volvulus 0.0029 0.0193 0.0821
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.2005 0.2005
Schistosoma mansoni hypothetical protein 0.0185 0.2092 0.2037
Schistosoma mansoni loxhd1 0.0021 0.0103 0.0034
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0626 0.0626
Entamoeba histolytica hypothetical protein 0.0037 0.0287 0.8838
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.223 0.223
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0271 0.4594
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0017 0.0017
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0196 0.223 0.6715
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0507 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0069 0.1626
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.2005 0.6038
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.002 0.0056
Echinococcus granulosus lamin 0.003 0.0205 0.0205
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0271 0.0271
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.2124 0.6375
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0587 0.0522
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0069 0.1626
Echinococcus granulosus geminin 0.0185 0.2092 0.2092
Trichomonas vaginalis glucosylceramidase, putative 0.0285 0.332 1
Loa Loa (eye worm) RNA binding protein 0.0268 0.3107 0.9359
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0069 0.0069
Schistosoma mansoni intermediate filament proteins 0.003 0.0205 0.0137
Echinococcus multilocularis tar DNA binding protein 0.0268 0.3107 0.3107
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0626 0.1882
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0575 0.0575
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0069 0.1626
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0271 0.0271
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0103 0.0103
Echinococcus multilocularis peregrin 0.0035 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0139 0.1537 0.4627
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.2124 0.6375
Loa Loa (eye worm) hypothetical protein 0.0035 0.0271 0.081
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0381 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3107 0.3059
Schistosoma mansoni rab6-interacting 0.0021 0.0103 0.0034
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.2124 0.6375
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0036 0.0103
Onchocerca volvulus 0.003 0.0205 0.0877
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0069 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.2124 0.6375
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0322 0.5757
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0069 0.5
Schistosoma mansoni lamin 0.003 0.0205 0.0137
Loa Loa (eye worm) TAR-binding protein 0.0268 0.3107 0.9359
Brugia malayi TAR-binding protein 0.0268 0.3107 0.9359
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0069 0.0149
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1247 0.1247
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.2005 0.6038
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0196 0.223 0.6715
Trichomonas vaginalis glucosylceramidase, putative 0.0285 0.332 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0958 0.0895
Brugia malayi hypothetical protein 0.0021 0.0103 0.0306
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0322 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0626 0.0626
Schistosoma mansoni alpha glucosidase 0.0039 0.0322 0.0254
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3107 0.3059
Onchocerca volvulus 0.003 0.0205 0.0877
Plasmodium falciparum phd finger protein, putative 0.0035 0.0271 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0285 0.332 1
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0089 0.0263
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0198 0.0591
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.223 0.2176
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0626 0.0626
Brugia malayi jmjC domain containing protein 0.0115 0.1247 0.3753
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0025
Brugia malayi Doublecortin family protein 0.0021 0.0103 0.0306
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0203 0.2322 0.6992
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0103 0.0103
Brugia malayi jmjC domain containing protein 0.0044 0.0381 0.1143
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0271 0.081
Entamoeba histolytica hypothetical protein 0.0037 0.0287 0.8838
Brugia malayi PHD-finger family protein 0.0035 0.0271 0.081
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1247 0.1247
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.2005 0.2005
Schistosoma mansoni hypothetical protein 0.0139 0.1537 0.1478
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0069 0.2472
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0322 0.0913
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0271 0.0203
Schistosoma mansoni cpg binding protein 0.0029 0.0193 0.0125
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0322 0.0913
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0103 0.0103
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0069 0.0203
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0103 0.3744
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.223 0.2176
Echinococcus multilocularis lamin 0.003 0.0205 0.0205
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0287 0.0287
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.2246 0.6747
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0322 0.0913
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0322 0.0322
Echinococcus granulosus RUN 0.0021 0.0103 0.0103
Echinococcus granulosus tar DNA binding protein 0.0268 0.3107 0.3107
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0322 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0069 0.1626
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0322 0.0964
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.223 0.223
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3107 0.3059
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0322 0.0322
Entamoeba histolytica hypothetical protein 0.0037 0.0287 0.8838
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0103 0.0103
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0322 0.0913
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.2124 0.6375
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0322 0.0964
Brugia malayi Bromodomain containing protein 0.0035 0.0271 0.081
Onchocerca volvulus 0.0021 0.0103 0.0395
Echinococcus multilocularis musashi 0.003 0.0205 0.0205
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3107 0.3059
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0069 0.5
Echinococcus multilocularis geminin 0.0185 0.2092 0.2092
Trichomonas vaginalis glucosylceramidase, putative 0.0187 0.2124 0.6375
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0069 0.0203
Loa Loa (eye worm) hypothetical protein 0.0021 0.0103 0.0306
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0271 0.4594
Loa Loa (eye worm) hypothetical protein 0.0014 0.0017 0.0045
Onchocerca volvulus 0.0103 0.1093 0.51
Trichomonas vaginalis glucosylceramidase, putative 0.0285 0.332 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0626 0.1882
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3107 0.3059
Schistosoma mansoni hypothetical protein 0.0021 0.0103 0.0034
Brugia malayi RNA binding protein 0.0268 0.3107 0.9359
Echinococcus multilocularis cpg binding protein 0.003 0.0213 0.0213
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0017 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.0285 0.332 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0203 0.2322 0.6992
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0728 0.2188
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0103 0.0103
Schistosoma mansoni lamin 0.003 0.0205 0.0137
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0322 0.0913
Schistosoma mansoni polycystin 1-related 0.0021 0.0103 0.0034
Loa Loa (eye worm) hypothetical protein 0.0021 0.0103 0.0306
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0271 1
Schistosoma mansoni cpg binding protein 0.003 0.0213 0.0145
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.2246 0.6747
Loa Loa (eye worm) hypothetical protein 0.006 0.0577 0.1734
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0322 0.0913
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0439 0.0439
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0205 0.0611
Schistosoma mansoni hypothetical protein 0.0064 0.0626 0.0561
Schistosoma mansoni alpha-glucosidase 0.0153 0.1704 0.1646
Schistosoma mansoni hypothetical protein 0.0064 0.0626 0.0561
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.2005 0.2005
Brugia malayi hypothetical protein 0.0037 0.0287 0.0858
Trypanosoma brucei glucosidase, putative 0.0039 0.0322 1
Schistosoma mansoni hypothetical protein 0.0035 0.0271 0.0203
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0287 0.0287
Schistosoma mansoni hypothetical protein 0.0037 0.0287 0.0219
Brugia malayi Calcitonin receptor-like protein seb-1 0.0203 0.2322 0.6992
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0069 0.0149
Loa Loa (eye worm) hypothetical protein 0.0015 0.002 0.0056
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0322 0.0913
Echinococcus granulosus intermediate filament protein 0.003 0.0205 0.0205
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0285 0.332 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.223 0.223
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0193 0.2197 0.6617
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0287 0.0219
Schistosoma mansoni lipoxygenase 0.0021 0.0103 0.0034
Echinococcus multilocularis dnaJ subfamily B 0.0411 0.4849 0.4849
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0268 0.3107 0.9359
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.223 0.223
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0069 0.2472
Echinococcus granulosus GPCR family 2 0.0064 0.0626 0.0626
Schistosoma mansoni hypothetical protein 0.0185 0.2092 0.2037
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0575 0.0575
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0322 0.0913
Brugia malayi CXXC zinc finger family protein 0.0029 0.0193 0.0576
Entamoeba histolytica hypothetical protein 0.0037 0.0287 0.8838
Echinococcus granulosus dnaJ subfamily B 0.0411 0.4849 0.4849
Brugia malayi MH2 domain containing protein 0.013 0.1427 0.4296
Echinococcus granulosus cpg binding protein 0.003 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.003 0.0205 0.0611
Schistosoma mansoni rab6-interacting 0.0021 0.0103 0.0034
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.1427 0.4296
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.223 0.2176
Onchocerca volvulus 0.0021 0.0103 0.0395
Brugia malayi intermediate filament protein 0.003 0.0205 0.0611
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0103 0.3744
Brugia malayi RNA recognition motif domain containing protein 0.0268 0.3107 0.9359
Schistosoma mansoni cpg binding protein 0.003 0.0213 0.0145
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0103 0.0103

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.7907 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 20.7491 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation in HepG2 cytotox. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 158.4893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Giardia lamblia

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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