Detailed information for compound 620976

Basic information

Technical information
  • TDR Targets ID: 620976
  • Name: 3-(3,4-dimethoxyphenyl)-6-hydroxy-4-methylchr omen-2-one
  • MW: 312.317 | Formula: C18H16O5
  • H donors: 1 H acceptors: 2 LogP: 3.05 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1c(=O)oc2c(c1C)cc(cc2)O
  • InChi: 1S/C18H16O5/c1-10-13-9-12(19)5-7-14(13)23-18(20)17(10)11-4-6-15(21-2)16(8-11)22-3/h4-9,19H,1-3H3
  • InChiKey: XVUGUSLJPOBMDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4-dimethoxyphenyl)-6-hydroxy-4-methyl-chromen-2-one
  • 3-(3,4-dimethoxyphenyl)-6-hydroxy-4-methyl-2-chromenone
  • 3-(3,4-dimethoxyphenyl)-6-hydroxy-4-methyl-coumarin
  • ST066903
  • ZINC00057810

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0058 0.0113 0.0377
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0149 0.061 0.1359
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0054 0.0092 0.1016
Echinococcus multilocularis muscleblind protein 1 0.018 0.0782 0.2564
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.1484 0.7884 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.04 0.3108
Toxoplasma gondii target of rapamycin (TOR), putative 0.0103 0.0361 0.1209
Toxoplasma gondii NADPH-glutathione reductase 0.0203 0.0903 0.3024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0361 0.2804
Schistosoma mansoni tar DNA-binding protein 0.0596 0.3048 0.3048
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.1335 0.7073 0.897
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0054 0.0092 0.1645
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0203 0.0903 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0139 0.0555 0.1821
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0001 0.0001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0054 0.0092 0.0204
Trypanosoma cruzi NADH dehydrogenase, putative 0.0054 0.0092 0.0307
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0054 0.0092 0.0712
Loa Loa (eye worm) hypothetical protein 0.006 0.0127 0.0282
Schistosoma mansoni tar DNA-binding protein 0.0596 0.3048 0.3048
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0054 0.0092 0.1016
Loa Loa (eye worm) transcription factor SMAD2 0.0861 0.449 1
Schistosoma mansoni sulfide quinone reductase 0.0054 0.0092 0.0092
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0596 0.3048 0.6788
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0054 0.0092 0.1016
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.1484 0.7884 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0139 0.0555 0.1858
Echinococcus granulosus muscleblind protein 0.018 0.0782 0.2564
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0139 0.0555 0.0555
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0206 0.1602
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0054 0.0092 0.0307
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0054 0.0092 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0251 0.1945
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0054 0.0092 0.0307
Trypanosoma brucei NADH dehydrogenase 0.0054 0.0092 0.0307
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Echinococcus granulosus mothers against decapentaplegic 5 0.0059 0.0118 0.0387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0052 0.0405
Schistosoma mansoni Smad4 0.0059 0.0118 0.0118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0444 0.3451
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0139 0.0555 0.1821
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0054 0.0092 0.1016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0361 0.2804
Brugia malayi MH1 domain containing protein 0.0059 0.0118 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0139 0.0555 0.431
Trichomonas vaginalis mercuric reductase, putative 0.0203 0.0903 0.7014
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0054 0.0092 0.0301
Brugia malayi glutamate synthase 0.0054 0.0092 0.0204
Loa Loa (eye worm) TAR-binding protein 0.0596 0.3048 0.6788
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.1335 0.7073 0.897
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0054 0.0092 0.0301
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0054 0.0092 0.0204
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0054 0.0092 0.0307
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0139 0.0555 0.1858
Brugia malayi MH2 domain containing protein 0.0059 0.0118 0.0263
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0054 0.0092 0.0307
Mycobacterium tuberculosis Probable reductase 0.1335 0.7073 0.897
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0054 0.0092 0.0712
Onchocerca volvulus 0.0273 0.1288 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0054 0.0092 0.0712
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0054 0.0092 0.0116
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0054 0.0092 0.0116
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0001 0.0002
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0203 0.0903 0.3024
Leishmania major hypothetical protein, conserved 0.0054 0.0092 0.0307
Brugia malayi MH1 domain containing protein 0.0059 0.0118 0.0263
Schistosoma mansoni disulfide oxidoreductase 0.0054 0.0092 0.0092
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0054 0.0092 0.0712
Mycobacterium ulcerans monoxygenase 0.0054 0.0092 0.1016
Leishmania major phosphatidylinositol 3-kinase, putative 0.0047 0.0052 0.0175
Trichomonas vaginalis glutamate synthase, putative 0.0054 0.0092 0.0712
Plasmodium vivax thioredoxin reductase, putative 0.0585 0.2987 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0149 0.061 0.1359
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0059 0.0118 0.0387
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0054 0.0092 0.0307
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0054 0.0092 0.0307
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0203 0.0903 0.3024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.0306 0.2376
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0139 0.0555 0.1858
Giardia lamblia GTOR 0.0139 0.0555 0.5709
Echinococcus multilocularis muscleblind protein 0.018 0.0782 0.2564
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0054 0.0092 0.0307
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0054 0.0092 0.0116
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0054 0.0092 0.1016
Echinococcus multilocularis mothers against decapentaplegic 5 0.0059 0.0118 0.0387
Leishmania major hypothetical protein, conserved 0.0054 0.0092 0.0307
Echinococcus multilocularis tumor protein p63 0.0347 0.169 0.5545
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0246 0.1911
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0203 0.0903 0.2964
Echinococcus granulosus tar DNA binding protein 0.0596 0.3048 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0139 0.0555 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0111 0.0401 0.1342
Loa Loa (eye worm) MH2 domain-containing protein 0.0059 0.0118 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0207 0.1607
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0054 0.0092 0.0301
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0054 0.0092 0.0301
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0203 0.0903 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0361 0.2804
Plasmodium falciparum glutathione reductase 0.0585 0.2987 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0059 0.0118 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.04 0.3108
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0203 0.0903 0.3024
Brugia malayi TAR-binding protein 0.0596 0.3048 0.6788
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0054 0.0092 0.0301
Schistosoma mansoni tar DNA-binding protein 0.0596 0.3048 0.3048
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0054 0.0092 0.0301
Onchocerca volvulus 0.0054 0.0092 0.0712
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0054 0.0092 0.0204
Loa Loa (eye worm) Smad1 0.0059 0.0118 0.0263
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0054 0.0092 0.0307
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.1484 0.7884 1
Trichomonas vaginalis glutathione reductase, putative 0.0203 0.0903 0.7014
Schistosoma mansoni smad1 5 8 and 0.0059 0.0118 0.0118
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0047 0.0052 0.0171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0361 0.2804
Brugia malayi glutathione reductase 0.0585 0.2987 0.6653
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0127 0.0282
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0203 0.0903 0.3024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0361 0.2804
Trypanosoma brucei trypanothione reductase 0.0585 0.2987 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0127 0.0282
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.1335 0.7073 0.897
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0054 0.0092 0.0301
Mycobacterium ulcerans hypothetical protein 0.0054 0.0092 0.1016
Schistosoma mansoni glutamate synthase 0.0054 0.0092 0.0092
Schistosoma mansoni smad 0.0059 0.0118 0.0118
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.1086 0.1378
Loa Loa (eye worm) phosphatidylinositol 3 0.0139 0.0555 0.1236
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0361 0.2804
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.04 0.3108
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Trypanosoma cruzi trypanothione reductase, putative 0.0585 0.2987 1
Brugia malayi Pre-SET motif family protein 0.024 0.1107 0.2466
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0203 0.0903 0.3024
Schistosoma mansoni tar DNA-binding protein 0.0596 0.3048 0.3048
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0075 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0207 0.1607
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0054 0.0092 0.0301
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0047 0.0052 0.0171
Schistosoma mansoni glutamate synthase 0.0054 0.0092 0.0092
Leishmania major NADH dehydrogenase, putative 0.0054 0.0092 0.0307
Entamoeba histolytica disulphide oxidoreductase, putative 0.0054 0.0092 0.1645
Trichomonas vaginalis apoptosis inducing factor, putative 0.0054 0.0092 0.0712
Mycobacterium tuberculosis Probable oxidoreductase 0.1484 0.7884 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0111 0.0401 0.1342
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0054 0.0092 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0001 0.0011
Entamoeba histolytica thioredoxin reductase, putative 0.0054 0.0092 0.1645
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0203 0.0903 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0246 0.1911
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0023 0.0051
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0054 0.0092 0.0307
Schistosoma mansoni smad1 5 8 and 0.0059 0.0118 0.0118
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0203 0.0903 0.0903
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0054 0.0092 0.0307
Trichomonas vaginalis glutamate synthase, putative 0.0054 0.0092 0.0712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0052 0.0405
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0047 0.0052 0.0175
Plasmodium falciparum thioredoxin reductase 0.0585 0.2987 1
Loa Loa (eye worm) RNA binding protein 0.0596 0.3048 0.6788
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0054 0.0092 0.0307
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0047 0.0052 0.0175
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0207 0.1607
Loa Loa (eye worm) programmed cell death 8 0.0054 0.0092 0.0204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0361 0.2804
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0054 0.0092 0.0301
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0203 0.0903 0.2012
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0054 0.0092 0.0116
Echinococcus granulosus TGF beta signal transducer SmadC 0.0059 0.0118 0.0387
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0054 0.0092 0.0307
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0047 0.0052 0.0175
Echinococcus granulosus thioredoxin glutathione reductase 0.0591 0.3019 0.9906
Mycobacterium ulcerans dehydrogenase 0.0054 0.0092 0.1016
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0139 0.0555 0.1858
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0127 0.0282
Leishmania major trypanothione reductase 0.0585 0.2987 1
Mycobacterium ulcerans NADH dehydrogenase 0.0054 0.0092 0.1016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0206 0.1602
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0203 0.0903 1
Schistosoma mansoni sulfide quinone reductase 0.0054 0.0092 0.0092
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0054 0.0092 0.0116
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0203 0.0903 0.3024
Echinococcus multilocularis glutamate synthase 0.0054 0.0092 0.0301
Echinococcus multilocularis Smad4 0.0059 0.0118 0.0387
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0054 0.0092 0.0307
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0054 0.0092 0.1016
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0139 0.0555 0.1858
Schistosoma mansoni tar DNA-binding protein 0.0596 0.3048 0.3048
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0052 0.0116
Mycobacterium ulcerans ferredoxin reductase 0.0054 0.0092 0.1016
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0203 0.0903 0.2964
Brugia malayi RNA binding protein 0.0596 0.3048 0.6788
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0054 0.0092 0.0712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0251 0.1945
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0203 0.0903 0.3024
Schistosoma mansoni hypothetical protein 0.0054 0.0092 0.0092
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0203 0.0903 0.3024
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.1107 0.2466
Plasmodium vivax glutathione reductase, putative 0.0585 0.2987 1
Brugia malayi Muscleblind-like protein 0.018 0.0782 0.1741
Plasmodium falciparum thioredoxin reductase 0.0203 0.0903 0.2803
Schistosoma mansoni hypothetical protein 0.0041 0.0023 0.0023
Schistosoma mansoni glutamate synthase 0.0054 0.0092 0.0092
Echinococcus granulosus glutamate synthase 0.0054 0.0092 0.0301
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0054 0.0092 0.0116
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0054 0.0092 0.0712
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0092 0.0307
Brugia malayi hypothetical protein 0.0037 0.0001 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.04 0.3108
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0054 0.0092 0.0116
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0111 0.0401 0.1342
Loa Loa (eye worm) MH2 domain-containing protein 0.0861 0.449 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0203 0.0903 0.3024
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0585 0.2987 0.3789
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0047 0.0052 0.0175
Trypanosoma cruzi trypanothione reductase, putative 0.0203 0.0903 0.3024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0251 0.1945
Schistosoma mansoni smad1 5 8 and 0.0059 0.0118 0.0118
Giardia lamblia NADH oxidase lateral transfer candidate 0.0203 0.0903 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0023 0.0051
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0054 0.0092 0.0116
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0054 0.0092 0.1016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0052 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0207 0.1607
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0092 0.0307
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0054 0.0092 0.0301
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0054 0.0092 0.1645
Mycobacterium tuberculosis Putative ferredoxin reductase 0.1335 0.7073 0.897
Brugia malayi Smad1 0.0059 0.0118 0.0263
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0054 0.0092 0.0301
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0052 0.0116
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0054 0.0092 0.1645
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0054 0.0092 0.0307
Loa Loa (eye worm) hypothetical protein 0.018 0.0782 0.1741
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0206 0.1602
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0047 0.0052 0.0052
Echinococcus granulosus tumor protein p63 0.0347 0.169 0.5545
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0054 0.0092 0.0204
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.04 0.3108
Toxoplasma gondii thioredoxin reductase 0.0585 0.2987 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0052 0.0405
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0203 0.0903 1
Echinococcus granulosus Smad4 0.0059 0.0118 0.0387
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0054 0.0092 0.0712
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0054 0.0092 0.0301
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0203 0.0903 1
Plasmodium vivax ferrodoxin reductase, putative 0.0054 0.0092 0.0307
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0001 0.0002
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.0092 0.0307
Echinococcus multilocularis tar DNA binding protein 0.0596 0.3048 1
Brugia malayi Thioredoxin reductase 0.0585 0.2987 0.6653
Mycobacterium tuberculosis Probable dehydrogenase 0.1335 0.7073 0.897
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0203 0.0903 0.3024
Trypanosoma cruzi NADH dehydrogenase, putative 0.0054 0.0092 0.0307
Loa Loa (eye worm) thioredoxin reductase 0.0585 0.2987 0.6653
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0054 0.0092 0.0307
Treponema pallidum NADH oxidase 0.0203 0.0903 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0139 0.0555 0.1858
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0054 0.0092 0.0712
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.1335 0.7073 0.897
Echinococcus granulosus smad 0.0059 0.0118 0.0387
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0203 0.0903 0.2803
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0203 0.0903 0.2803
Echinococcus multilocularis smad 0.0059 0.0118 0.0387
Loa Loa (eye worm) glutathione reductase 0.0585 0.2987 0.6653
Brugia malayi RNA recognition motif domain containing protein 0.0596 0.3048 0.6788
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0203 0.0903 0.1146
Mycobacterium ulcerans glutamate synthase subunit beta 0.0054 0.0092 0.1016
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0054 0.0092 0.0307
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0139 0.0555 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0059 0.0118 0.0118
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0047 0.0052 0.0175
Schistosoma mansoni hypothetical protein 0.0037 0.0001 0.0001
Trichomonas vaginalis set domain proteins, putative 0.0273 0.1288 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0075 0.0168
Leishmania major hypothetical protein, conserved 0.0054 0.0092 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0052 0.0405
Loa Loa (eye worm) hypothetical protein 0.018 0.0782 0.1741
Echinococcus multilocularis thioredoxin glutathione reductase 0.0591 0.3019 0.9906
Brugia malayi MH2 domain containing protein 0.0059 0.0118 0.0263
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0054 0.0092 0.0712
Plasmodium falciparum glutathione reductase 0.0203 0.0903 0.2803
Toxoplasma gondii selenide, water dikinase 0.0054 0.0092 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.029 0.2249
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0054 0.0092 0.0712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0139 0.0555 0.431
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0203 0.0903 0.3024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0139 0.0555 0.431
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0054 0.0092 0.1645
Loa Loa (eye worm) hypothetical protein 0.0054 0.0092 0.0204
Onchocerca volvulus 0.0051 0.0075 0.0585
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0054 0.0092 0.0307
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0054 0.0092 0.0307
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0139 0.0555 0.1236
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0054 0.0092 0.1645
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0203 0.0903 0.3024
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0066 0.0156 0.0523
Brugia malayi MH2 domain containing protein 0.0861 0.449 1

Activities

Activity type Activity value Assay description Source Reference
AbsAC40_uM (functional) > 26 uM PUBCHEM_BIOASSAY: Sustained Induction of HSF-1 Measured in Cell-Based System Using Plate Reader - 2038-07_Activator_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) > 260 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 28.1838 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) 39.8107 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) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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