Detailed information for compound 165808

Basic information

Technical information
  • TDR Targets ID: 165808
  • Name: (2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphe nyl)methanone
  • MW: 278.214 | Formula: C13H10O7
  • H donors: 6 H acceptors: 7 LogP: 1.68 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(c(c1O)O)O)c1cc(O)c(c(c1)O)O
  • InChi: 1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
  • InChiKey: XEDWWPGWIXPVRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • exifone
  • 52479-85-3
  • 72841-23-7
  • ZINC03775294
  • NSC680919
  • AIDS060880
  • AIDS-060880
  • (2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone
  • 2,3,3',4,4',5'-Hexahydroxybenzophenone
  • 3-08-00-04364 (Beilstein Handbook Reference)
  • 4-Galloylpyrogallol
  • Adlone
  • BRN 3401917
  • EINECS 257-945-9
  • Exifona [INN-Spanish]
  • Exifone [INN]
  • Exifonum [INN-Latin]
  • Methanone, (2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)-
  • NSC 680919

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0114 0.0086
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0156 0.0148
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.1279 0.3038
Schistosoma mansoni transient receptor potential channel 0.0064 0.1028 0.1449
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0198 0.0211
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3199 0.4685
Entamoeba histolytica phosphoglycerate kinase, putative 0.0206 0.408 1
Schistosoma mansoni protein kinase 0.0035 0.04 0.0513
Mycobacterium ulcerans phosphoglycerate kinase 0.0206 0.408 0.5999
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0883 0.2055
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0114 0.0086
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.059 0.1325
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0114 0.0143
Brugia malayi beta-lactamase 0.0036 0.0425 0.0549
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0734 0.1683
Schistosoma mansoni transient receptor potential channel 4 0.0096 0.1732 0.2498
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0156 0.0382
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0114 0.0143
Plasmodium falciparum calcium-dependent protein kinase 2 0.0035 0.0401 0.0346
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0035 0.04 0.0513
Leishmania major phosphoglycerate kinase C, glycosomal 0.0206 0.408 1
Loa Loa (eye worm) MBCTL1 0.0057 0.0883 0.1233
Trichomonas vaginalis sugar transporter, putative 0.0035 0.041 0.0527
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0114 0.0086
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2092 0.5058
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0506 0.1118
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0156 0.0247
Brugia malayi glutaminase DH11.1 0.033 0.6763 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0425 0.0549
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0206 0.408 0.6121
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.408 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.2092 0.5058
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.5056 0.7455
Trypanosoma brucei unspecified product 0.0023 0.0156 0.0382
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.04 0.0855
Onchocerca volvulus 0.005 0.0734 0.201
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0035 0.04 0.0981
Echinococcus granulosus dna polymerase kappa 0.0023 0.0156 0.0247
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0067 0.0026
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.04 0.0855
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0425 0.0814
Plasmodium vivax hexose transporter 0.0113 0.2092 0.2047
Giardia lamblia Phosphoglycerate kinase 0.0206 0.408 1
Entamoeba histolytica protein kinase, putative 0.0035 0.04 0.0855
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0114 0.0143
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0818 0.2005
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0427 0.092
Trichomonas vaginalis glutaminase, putative 0.033 0.6763 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0156 0.0148
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0156 0.0382
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.2092 0.5058
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0198 0.0211
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0156 0.0247
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0114 0.0086
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.04 0.0855
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0506 0.1118
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0156 0.0148
Schistosoma mansoni hypothetical protein 0.0113 0.2092 0.3034
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.1028 0.2415
Brugia malayi mbt repeat family protein 0.005 0.0734 0.101
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0385 0.049
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0114 0.0086
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0114 0.0143
Trichomonas vaginalis esterase, putative 0.0036 0.0425 0.0549
Brugia malayi Phosphoglycerate kinase 0.0075 0.1279 0.1822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0114 0.0143
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0131 0.0111
Echinococcus granulosus dna polymerase eta 0.0054 0.0818 0.1893
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0114 0.0143
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.5056 0.7455
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0549
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0114 0.0086
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0385 0.049
Brugia malayi nuclear hormone receptor 0.0021 0.0114 0.0086
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0425 0.0814
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0385 0.0817
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.408 0.5999
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0113 0.2092 0.5058
Loa Loa (eye worm) glutaminase 2 0.033 0.6763 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0093 0.1662 0.3991
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0427 0.0552
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0198 0.0352
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.059 0.1325
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0734 0.201
Echinococcus granulosus phosphoglycerate kinase 1 0.0206 0.408 1
Mycobacterium leprae Possible D-ribose-binding protein 0.0322 0.6593 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0425 0.0477
Mycobacterium ulcerans lipase LipD 0.0036 0.0425 0.0549
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3199 0.4685
Loa Loa (eye worm) hypothetical protein 0.0054 0.0818 0.1136
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0114 0.0086
Leishmania major hypothetical protein, conserved 0.0036 0.0425 0.0915
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.04 0.0855
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.04 0.0855
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0206 0.408 0.8899
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.059 0.0795
Plasmodium falciparum phosphoglycerate kinase 0.0206 0.408 0.4047
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0883 0.2055
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0114 0.0086
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0114 0.0143
Leishmania major DNA polymerase kappa, putative 0.0023 0.0156 0.0247
Entamoeba histolytica hypothetical protein 0.0025 0.0198 0.0352
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0425 0.0549
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0156 0.0148
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1301 0.1856
Mycobacterium ulcerans hypothetical protein 0.0036 0.0425 0.0549
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1301 0.1856
Loa Loa (eye worm) hypothetical protein 0.0096 0.1732 0.2498
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0114 0.0086
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0385 0.0416
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0114 0.0086
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0425 0.0915
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0506 0.1118
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0425 0.0915
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0114 0.0086
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0114 0.0086
Schistosoma mansoni transient receptor potential channel 0.0064 0.1028 0.1449
Brugia malayi hypothetical protein 0.015 0.2889 0.4223
Echinococcus granulosus transient receptor potential ion channel A 0.0093 0.1662 0.3991
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0425 0.0915
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.04 0.0855
Plasmodium falciparum proline--tRNA ligase 0.004 0.0506 0.0452
Brugia malayi nuclear receptor NHR-88 0.0021 0.0114 0.0086
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1301 0.1856
Echinococcus granulosus General substrate transporter 0.0097 0.1749 0.4206
Echinococcus multilocularis General substrate transporter 0.0097 0.1749 0.4206
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.408 1
Toxoplasma gondii ABC1 family protein 0.0036 0.0425 0.0568
Schistosoma mansoni transient receptor potential channel 0.0096 0.1732 0.2498
Brugia malayi beta-lactamase family protein 0.0036 0.0425 0.0549
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0156 0.0382
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0425 0.0549
Schistosoma mansoni hypothetical protein 0.0043 0.059 0.0795
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.2092 0.5058
Trypanosoma brucei glucose transporter 1E 0.0035 0.041 0.1005
Trypanosoma cruzi hexose transporter, putative 0.0035 0.041 0.0878
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.408 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0114 0.0143
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0883 0.1233
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0114 0.0086
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0734 0.101
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0734 0.1683
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0198 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0114 0.0086
Loa Loa (eye worm) beta-lactamase 0.0036 0.0425 0.0549
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0114 0.0086
Onchocerca volvulus 0.0036 0.0425 0.1007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0156 0.0247
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0156 0.0247
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0425 0.037
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0818 0.1893
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0156 0.0148
Schistosoma mansoni glutaminase 0.033 0.6763 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0425 0.0549
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2092 0.5058
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0156 0.0148
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0035 0.0401 0.0531
Echinococcus multilocularis transient receptor potential gamma protein 0.0096 0.1732 0.4163
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0114 0.0143
Trypanosoma brucei glucose transporter 2A 0.0035 0.041 0.1005
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3389 0.4969
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0114 0.0086
Entamoeba histolytica hypothetical protein 0.0043 0.059 0.1325
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2092 0.5058
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0385 0.049
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0385 0.0817
Loa Loa (eye worm) hypothetical protein 0.0035 0.04 0.0513
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0198 0.0352
Leishmania major DNA polymerase eta, putative 0.0038 0.0472 0.1033
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0198 0.0485
Schistosoma mansoni ets-related 0.0265 0.5372 0.7925
Onchocerca volvulus 0.0036 0.0425 0.1007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.408 0.5999
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0425 0.0549
Plasmodium vivax CDK-related protein kinase 6, putative 0.048 1 1
Plasmodium vivax proline--tRNA ligase, putative 0.004 0.0506 0.0452
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Trichomonas vaginalis sugar transporter, putative 0.0035 0.041 0.0527
Toxoplasma gondii protein kinase, putative 0.032 0.6541 1
Leishmania major glucose transporter, lmgt3 0.0035 0.041 0.0878
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0114 0.0086
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.4578 1
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3389 0.4969
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0114 0.0143
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0425 0.0549
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.04 0.0513
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0035 0.0401 0.0531
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0035 0.0401 0.0531
Schistosoma mansoni protein kinase 0.0035 0.04 0.0513
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0425 0.0549
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0114 0.0143
Plasmodium falciparum protein kinase 7 0.032 0.6541 0.6522
Loa Loa (eye worm) RNA binding protein 0.0076 0.1301 0.1856
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.1028 0.2415
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0114 0.0143
Schistosoma mansoni glucose transport protein 0.0113 0.2092 0.3034
Schistosoma mansoni gabp alpha 0.0087 0.1537 0.2208
Trypanosoma brucei phosphoglycerate kinase, putative 0.0075 0.1279 0.3134
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0206 0.408 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3199 0.4685
Loa Loa (eye worm) hypothetical protein 0.0028 0.0248 0.0286
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1301 0.1856
Brugia malayi Ets-domain containing protein 0.0087 0.1537 0.2208
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0116 0.0132
Brugia malayi Ets-domain containing protein 0.0087 0.1537 0.2208
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.5056 0.7455
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Schistosoma mansoni glucose transport protein 0.0113 0.2092 0.3034
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0198 0.0352
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0114 0.0086
Loa Loa (eye worm) sugar transporter 0.0113 0.2092 0.3034
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0114 0.0086
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Echinococcus granulosus transient receptor potential gamma protein 0.0096 0.1732 0.4163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0114 0.0086
Brugia malayi beta-lactamase family protein 0.0036 0.0425 0.0549
Loa Loa (eye worm) hypothetical protein 0.0206 0.408 0.5999
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Leishmania major protein kinase, putative 0.0035 0.04 0.0855
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0056 0.0138
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0818 0.1136
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0425 0.0549
Trypanosoma cruzi hexose transporter, putative 0.0035 0.041 0.0878
Brugia malayi TAR-binding protein 0.0076 0.1301 0.1856
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0075 0.1279 0.3038
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0472 0.1033
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0114 0.0143
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0156 0.0247
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0114 0.0086
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Trypanosoma cruzi hexose transporter, putative 0.0035 0.041 0.0878
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0114 0.0143
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.5056 0.7455
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0198 0.0218
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Loa Loa (eye worm) hypothetical protein 0.0034 0.0385 0.049
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.5056 0.7455
Loa Loa (eye worm) hypothetical protein 0.0033 0.0357 0.0449
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0198 0.0142
Trypanosoma brucei phosphoglycerate kinase 0.0075 0.1279 0.3134
Echinococcus multilocularis phosphoglycerate kinase 1 0.0206 0.408 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0734 0.1683
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.408 1
Loa Loa (eye worm) glutaminase 0.033 0.6763 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.1537 0.2208
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0156 0.0148
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0156 0.0247
Plasmodium falciparum calcium-dependent protein kinase 1 0.0035 0.0401 0.0346
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0114 0.0086
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.041 0.0878
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0506 0.1241
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.04 0.0855
Toxoplasma gondii facilitative glucose transporter GT1 0.0113 0.2092 0.3138
Entamoeba histolytica protein kinase, putative 0.0035 0.04 0.0855
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0114 0.0086
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0734 0.1683
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0549
Plasmodium falciparum calcium-dependent protein kinase 4 0.0035 0.0401 0.0346
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0425 0.0814
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0734 0.101
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.1279 0.3038
Onchocerca volvulus 0.015 0.2889 0.8995
Loa Loa (eye worm) fli-1 protein 0.0265 0.5372 0.7925
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.2092 0.5058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0114 0.0086
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0198 0.0211
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.3199 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0116 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0114 0.0086
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.1537 0.368
Plasmodium falciparum calcium-dependent protein kinase 5 0.0035 0.0401 0.0346
Schistosoma mansoni coup transcription factor 0.0021 0.0114 0.0086
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0734 0.101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Brugia malayi Fli-1 protein 0.0265 0.5372 0.7925
Echinococcus multilocularis dna polymerase eta 0.0054 0.0818 0.1893
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0114 0.0086
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0114 0.0143
Loa Loa (eye worm) hypothetical protein 0.015 0.2889 0.4223
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0425 0.0814
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0425 0.0549
Loa Loa (eye worm) hypothetical protein 0.0061 0.0959 0.1346
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0114 0.0143
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0425 0.0477
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0198 0.0211
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0035 0.0401 0.0346
Chlamydia trachomatis phosphoglycerate kinase 0.0206 0.408 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0883 0.2055
Brugia malayi Cam kinase protein 1 0.0035 0.04 0.0513
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0425 0.0814
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Trichomonas vaginalis glucose transporter, putative 0.0035 0.041 0.0527
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0156 0.0247
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3199 0.4685
Schistosoma mansoni hypothetical protein 0.0309 0.63 0.9309
Brugia malayi RNA binding protein 0.0076 0.1301 0.1856
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0549
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0549
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0156 0.022
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.408 0.5999
Mycobacterium ulcerans glutaminase 0.033 0.6763 1
Treponema pallidum methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-2) 0.0322 0.6593 1
Treponema pallidum phosphoglycerate kinase 0.0206 0.408 0.6156
Giardia lamblia DINP protein human, muc B family 0.0023 0.0156 0.0247
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0114 0.0143
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0183 0.3593 0.3557
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0156 0.022
Trypanosoma cruzi hexose transporter 0.0035 0.041 0.0878
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0156 0.0382
Treponema pallidum methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-1) 0.0322 0.6593 1
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.5056 0.7455
Echinococcus multilocularis calcium dependent protein kinase 0.0033 0.0354 0.074
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3199 0.4685
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0206 0.408 0.6205
Mycobacterium ulcerans beta-lactamase 0.0036 0.0425 0.0549
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.041 0.0527
Leishmania major phosphoglycerate kinase B, cytosolic 0.0206 0.408 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0198 0.0352
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0427 0.092
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0114 0.0086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0549
Echinococcus granulosus tar DNA binding protein 0.0076 0.1301 0.3094
Brugia malayi ecdysteroid receptor 0.0021 0.0114 0.0086
Plasmodium falciparum calcium-dependent protein kinase 3 0.0035 0.0401 0.0346
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0114 0.0086
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3199 0.4685
Leishmania major glucose transporter, lmgt1 0.0035 0.041 0.0878
Brugia malayi mbt repeat family protein 0.005 0.0734 0.101
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0198 0.0142
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0198 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.041 0.0527
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.408 0.5999
Brugia malayi hypothetical protein 0.0043 0.059 0.0795
Entamoeba histolytica hypothetical protein 0.0043 0.059 0.1325
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0035 0.04 0.0513
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.5056 0.7455
Plasmodium falciparum hexose transporter 0.0113 0.2092 0.2047
Schistosoma mansoni glucose transport protein 0.0113 0.2092 0.3034
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0114 0.0086
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0385 0.0817
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0385 0.049
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1301 0.1856
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0425 0.0549
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Onchocerca volvulus 0.0036 0.0425 0.1007
Leishmania major DNA polymerase eta, putative 0.0054 0.0818 0.1893
Mycobacterium tuberculosis Conserved protein 0.0036 0.0425 0.0814
Loa Loa (eye worm) hypothetical protein 0.005 0.0734 0.101
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0472 0.0641
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.1537 0.368
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0114 0.0086
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1301 0.1856
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.041 0.1005
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0114 0.0086
Schistosoma mansoni DNA polymerase eta 0.0054 0.0818 0.1136
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1301 0.1856
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0883 0.1233
Loa Loa (eye worm) hypothetical protein 0.0025 0.0198 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0114 0.0086
Loa Loa (eye worm) hypothetical protein 0.0034 0.0385 0.049
Schistosoma mansoni protein kinase 0.0035 0.04 0.0513
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0425 0.0814
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1301 0.1856
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0114 0.0086
Brugia malayi steroid hormone receptor 0.0021 0.0114 0.0086
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0198 0.0127
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0114 0.0143
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0114 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0883 0.1233
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.1279 0.3038
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.1028 0.2415
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0035 0.0401 0.0346
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.004 0.0506 0.0694
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0035 0.04 0.0855
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0035 0.0401 0.0346
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0201 0.3991 0.9778
Leishmania major glucose transporter, lmgt2 0.0035 0.041 0.0878
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0506 0.1118
Trichomonas vaginalis sugar transporter, putative 0.0035 0.041 0.0527
Plasmodium falciparum mitogen-activated protein kinase 2 0.0183 0.3593 0.3557
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0086
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.041 0.1005
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0385 0.049
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0425 0.0549
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0206 0.408 0.6205
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.5056 0.7455
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0156 0.0148
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0201 0.3991 0.9778
Mycobacterium tuberculosis Conserved protein 0.0036 0.0425 0.0814
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0183 0.3593 0.5454
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0385 0.0817
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1301 0.3094
Loa Loa (eye worm) hypothetical protein 0.0036 0.0427 0.0552
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0035 0.04 0.0513
Entamoeba histolytica hypothetical protein 0.0043 0.059 0.1325
Entamoeba histolytica hypothetical protein 0.0043 0.059 0.1325
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0156 0.0247
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.2092 0.3034
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0425 0.0814
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0883 0.2055
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0734 0.101
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.1279 0.3038
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3199 0.4685
Brugia malayi Sugar transporter family protein 0.0113 0.2092 0.3034
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0549
Trichomonas vaginalis glucose transporter, putative 0.0035 0.041 0.0527
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0198 0.0352
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0425 0.0915
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0425 0.1041
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.1279 0.3038
Plasmodium vivax phosphoglycerate kinase, putative 0.0206 0.408 0.4047
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.041 0.1005
Trichomonas vaginalis CAMK family protein kinase 0.0035 0.04 0.0513
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0114 0.0086
Plasmodium vivax calcium-dependent protein kinase, putative 0.0035 0.0401 0.0346
Mycobacterium tuberculosis Conserved protein 0.0036 0.0425 0.0814
Brugia malayi Phosphoglycerate kinase 0.0206 0.408 0.5999
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0114 0.0086
Echinococcus granulosus calcium dependent protein kinase 0.0033 0.0354 0.074
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.1028 0.2415
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Trypanosoma brucei glucose transporter, putative 0.0035 0.041 0.1005
Loa Loa (eye worm) hypothetical protein 0.0075 0.1264 0.1801
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0156 0.0247

Activities

Activity type Activity value Assay description Source Reference
MTC (functional) = 10 uM Maximum tolerated concentration required for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by MTT reduction assay tested in vitro ChEMBL. 10571150
MTC (functional) = 10 uM Maximum tolerated concentration required for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by MTT reduction assay tested in vitro ChEMBL. 10571150
MTC (functional) = 50 uM Maximum tolerated concentration required for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by LDH assay tested in vitro ChEMBL. 10571150
MTC (functional) = 50 uM Maximum tolerated concentration required for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by LDH assay tested in vitro ChEMBL. 10571150
PC50 (functional) > 10 uM Tested in vitro for its neuroprotective activity against L-homocysteic acid(L-HCA) cytotoxicity, in murine HT-22 hippocampal cell culture, monitored by MTT reduction assay ChEMBL. 10571150
PC50 (functional) > 10 uM Tested in vitro for its neuroprotective activity against L-homocysteic acid(L-HCA) cytotoxicity, in murine HT-22 hippocampal cell culture, monitored by LDH assay. ChEMBL. 10571150
PC50 (functional) > 10 uM Tested in vitro for its neuroprotective activity against L-homocysteic acid(L-HCA) cytotoxicity, in murine HT-22 hippocampal cell culture, monitored by MTT reduction assay ChEMBL. 10571150
PC50 (functional) > 10 uM Tested in vitro for its neuroprotective activity against L-homocysteic acid(L-HCA) cytotoxicity, in murine HT-22 hippocampal cell culture, monitored by LDH assay. ChEMBL. 10571150
Potency (functional) 0.0122 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1927 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5955 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 27.5391 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.4889 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 43.5131 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 47.3043 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 48.9722 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 61.1306 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 61.6524 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Safety index (functional) = 0 Safety index of the compound was determined ChEMBL. 10571150
TC50 (functional) = 34 uM Tested in vitro for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by MTT reduction assay ChEMBL. 10571150
TC50 (functional) = 34 uM Tested in vitro for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by MTT reduction assay ChEMBL. 10571150
TC50 (functional) = 91 uM Tested in vitro for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by LDH assay. ChEMBL. 10571150
TC50 (functional) = 91 uM Tested in vitro for neurotoxicity on murine HT-22 hippocampal cell culture, monitored by LDH assay. ChEMBL. 10571150

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.
 
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

4 literature references were collected for this gene.

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