Detailed information for compound 506501

Basic information

Technical information
  • TDR Targets ID: 506501
  • Name: 3-(2,4-dimethoxyphenyl)-6-(3,4-dimethoxypheny l)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin e
  • MW: 412.462 | Formula: C20H20N4O4S
  • H donors: 0 H acceptors: 2 LogP: 3.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)c1nnc2n1N=C(CS2)c1ccc(c(c1)OC)OC
  • InChi: 1S/C20H20N4O4S/c1-25-13-6-7-14(17(10-13)27-3)19-21-22-20-24(19)23-15(11-29-20)12-5-8-16(26-2)18(9-12)28-4/h5-10H,11H2,1-4H3
  • InChiKey: LNWPRIMXQHIADJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCGC00165282-01

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
Entamoeba histolytica hypothetical protein 0.0043 0.0455 0.072
Onchocerca volvulus 0.0028 0.0253 0.0226
Loa Loa (eye worm) hypothetical protein 0.0356 0.453 0.9861
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0025 0.021 0.0236
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.012 0.0258
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.0112
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0025 0.021 0.0172
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0789 0.1715
Echinococcus multilocularis thioredoxin glutathione reductase 0.0268 0.3381 0.338
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0025 0.021 0.0236
Leishmania major protein kinase, putative 0.0069 0.0789 0.1469
Brugia malayi MH2 domain containing protein 0.0009 0.0008 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Brugia malayi serine/threonine protein kinase 6 0.0069 0.0789 0.1717
Schistosoma mansoni serine/threonine protein kinase 0.0361 0.4594 0.4589
Schistosoma mansoni glutamate synthase 0.0025 0.021 0.0202
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0093 0.1099 0.2392
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0133 0.0167
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0008 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Schistosoma mansoni glutamate synthase 0.0025 0.021 0.0202
Brugia malayi MH1 domain containing protein 0.0009 0.0008 0.0017
Schistosoma mansoni DNA polymerase eta 0.0019 0.0133 0.0126
Echinococcus multilocularis glutamate synthase 0.0025 0.021 0.0209
Brugia malayi hypothetical protein 0.0018 0.0127 0.0277
Schistosoma mansoni protein kinase 0.0069 0.0789 0.0781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0479 0.0477
Mycobacterium ulcerans dehydrogenase 0.0025 0.021 0.0793
Plasmodium falciparum serine/threonine protein kinase, putative 0.0069 0.0789 0.132
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0789 0.1469
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0025 0.021 0.0172
Onchocerca volvulus 0.017 0.2103 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0025 0.021 0.0172
Loa Loa (eye worm) hypothetical protein 0.0025 0.021 0.0454
Echinococcus granulosus dnaJ subfamily B 0.0398 0.5073 0.5072
Trichomonas vaginalis CMGC family protein kinase 0.0361 0.4594 1
Brugia malayi Thioredoxin reductase 0.0268 0.3381 0.736
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0025 0.021 0.0454
Brugia malayi hypothetical protein 0.0043 0.0455 0.099
Plasmodium falciparum protein kinase 5 0.0361 0.4594 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0025 0.021 0.0172
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Brugia malayi Smad1 0.0009 0.0008 0.0017
Entamoeba histolytica disulphide oxidoreductase, putative 0.0025 0.021 0.0172
Brugia malayi hypothetical protein 0.017 0.2103 0.4578
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0789 0.1715
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0619 0.1345
Trypanosoma brucei trypanothione reductase 0.0268 0.3381 0.7326
Entamoeba histolytica cell division protein kinase 2, putative 0.0361 0.4594 1
Leishmania major hypothetical protein, conserved 0.0025 0.021 0.0172
Echinococcus multilocularis cpg binding protein 0.003 0.0274 0.0272
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0025 0.021 0.0172
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Schistosoma mansoni hypothetical protein 0.0191 0.2372 0.2366
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.1099 0.2973
Entamoeba histolytica hypothetical protein 0.0043 0.0455 0.072
Echinococcus granulosus dna polymerase kappa 0.0019 0.0133 0.0132
Mycobacterium tuberculosis Probable dehydrogenase 0.0025 0.021 0.0236
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0025 0.021 0.0793
Brugia malayi Protein kinase domain containing protein 0.0361 0.4594 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Schistosoma mansoni glutamate synthase 0.0025 0.021 0.0202
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.012 0.0119
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0133 0.0167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0479 0.0471
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0025 0.021 0.0172
Echinococcus granulosus thioredoxin glutathione reductase 0.0268 0.3381 0.338
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0025 0.021 0.0172
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0093 0.1099 0.2028
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0008 0.0007
Schistosoma mansoni disulfide oxidoreductase 0.0025 0.021 0.0202
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0025 0.021 0.0172
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0025 0.021 0.0172
Loa Loa (eye worm) hypothetical protein 0.0038 0.0388 0.0842
Giardia lamblia Glutamate synthase 0.0025 0.021 0.0172
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0025 0.021 0.0793
Echinococcus multilocularis cyclin dependent kinase 1 0.0361 0.4594 0.4593
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0025 0.021 0.0172
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0093 0.1099 0.2296
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0069 0.0789 0.1469
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.012 0.0119
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0025 0.021 0.0172
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Entamoeba histolytica protein kinase, putative 0.0069 0.0789 0.1469
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0025 0.021 0.0172
Toxoplasma gondii aurora kinase 0.0069 0.0789 0.132
Plasmodium falciparum thioredoxin reductase 0.0093 0.1099 0.2028
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0025 0.021 0.0209
Echinococcus multilocularis dna polymerase eta 0.0019 0.0133 0.0132
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0093 0.1099 0.1098
Trypanosoma cruzi aurora B kinase, putative 0.0069 0.0789 0.1469
Echinococcus multilocularis geminin 0.0191 0.2372 0.2371
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0258 0.028
Plasmodium falciparum glutathione reductase 0.0268 0.3381 0.7233
Brugia malayi glutamate synthase 0.0025 0.021 0.0457
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0093 0.1099 0.2028
Trypanosoma cruzi trypanothione reductase, putative 0.0268 0.3381 0.7281
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0093 0.1099 0.2165
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0093 0.1099 1
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0025 0.021 0.0209
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.021 0.0172
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0025 0.021 0.0236
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0025 0.021 0.0172
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0361 0.4594 1
Toxoplasma gondii thioredoxin reductase 0.0268 0.3381 0.7233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0479 0.0471
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0479 0.1039
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0054 0.0053
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0093 0.1099 0.2165
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0008 0.0007
Echinococcus granulosus cyclin dependent kinase 0.0361 0.4594 0.4593
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.0112
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0025 0.021 0.0336
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0133 0.0132
Loa Loa (eye worm) hypothetical protein 0.0019 0.0133 0.0287
Schistosoma mansoni cpg binding protein 0.0028 0.0253 0.0245
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0619 0.1348
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0025 0.021 0.0209
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0025 0.021 0.0236
Echinococcus multilocularis Smad4 0.0009 0.0008 0.0007
Trypanosoma cruzi cdc2-related kinase 1 0.0361 0.4594 1
Schistosoma mansoni sulfide quinone reductase 0.0025 0.021 0.0202
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0025 0.021 0.0236
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0025 0.021 0.0172
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0479 0.1042
Brugia malayi MH1 domain containing protein 0.0009 0.0008 0.0017
Schistosoma mansoni hypothetical protein 0.0025 0.021 0.0202
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0133 0.0287
Mycobacterium ulcerans monoxygenase 0.0025 0.021 0.0793
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Schistosoma mansoni serine/threonine protein kinase 0.0361 0.4594 0.4589
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0789 0.1469
Trypanosoma brucei cdc2-related kinase 1 0.0361 0.4594 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0025 0.021 0.0172
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0069 0.0789 0.0788
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0093 0.1099 0.2028
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.012 0.0119
Giardia lamblia Kinase, CMGC CDK 0.0361 0.4594 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0133 0.0126
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0133 0.0126
Schistosoma mansoni hypothetical protein 0.0191 0.2372 0.2366
Echinococcus multilocularis microtubule associated protein 2 0.0776 1 1
Mycobacterium ulcerans glutamate synthase subunit beta 0.0025 0.021 0.0793
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0093 0.1099 0.2028
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0025 0.021 0.0793
Mycobacterium ulcerans hypothetical protein 0.0025 0.021 0.0793
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0619 0.1348
Mycobacterium ulcerans ferredoxin reductase 0.0025 0.021 0.0793
Plasmodium falciparum thioredoxin reductase 0.0268 0.3381 0.7233
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.1099 0.2973
Trichomonas vaginalis CMGC family protein kinase 0.0361 0.4594 1
Leishmania major hypothetical protein, conserved 0.0025 0.021 0.0172
Plasmodium falciparum glutathione reductase 0.0093 0.1099 0.2028
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Entamoeba histolytica cell division protein kinase 2, putative 0.0361 0.4594 1
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0789 0.1469
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0069 0.0789 0.132
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0093 0.1099 0.2028
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0025 0.021 0.0793
Trichomonas vaginalis CMGC family protein kinase 0.0361 0.4594 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0133 0.0132
Trypanosoma cruzi NADH dehydrogenase, putative 0.0025 0.021 0.0172
Trichomonas vaginalis glutamate synthase, putative 0.0025 0.021 0.0172
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0025 0.021 0.0209
Echinococcus granulosus smad 0.0009 0.0008 0.0007
Brugia malayi serine/threonine kinase 12 0.0069 0.0789 0.1717
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0133 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0093 0.1099 0.2296
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0258 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0025 0.021 0.0236
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0068 0.0778 0.1693
Echinococcus granulosus GPCR family 2 0.0018 0.012 0.0119
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0025 0.021 0.0457
Trypanosoma brucei NADH dehydrogenase 0.0025 0.021 0.0336
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0789 0.1715
Schistosoma mansoni microtubule-associated protein tau 0.0776 1 1
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0025 0.021 0.0172
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.0112
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0025 0.021 0.0457
Giardia lamblia Kinase, CMGC CDK 0.0361 0.4594 1
Loa Loa (eye worm) programmed cell death 8 0.0025 0.021 0.0454
Mycobacterium ulcerans NADH dehydrogenase 0.0025 0.021 0.0793
Trypanosoma brucei unspecified product 0.0019 0.0133 0.0167
Echinococcus granulosus cyclin dependent kinase 1 0.0361 0.4594 0.4593
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0258 0.028
Echinococcus granulosus glutamate synthase 0.0025 0.021 0.0209
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0253 0.0547
Brugia malayi serine/threonine-protein kinase 6 0.0069 0.0789 0.1717
Echinococcus multilocularis cyclin dependent kinase 5 0.0361 0.4594 0.4593
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0258 0.0442
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0025 0.021 0.0172
Echinococcus granulosus aurora kinase A 0.0069 0.0789 0.0788
Schistosoma mansoni cpg binding protein 0.003 0.0274 0.0266
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0789 0.1469
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.1099 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.1638 0.3564
Entamoeba histolytica protein kinase domain containing protein 0.0069 0.0789 0.1469
Trichomonas vaginalis glutamate synthase, putative 0.0025 0.021 0.0172
Leishmania major hypothetical protein, conserved 0.0025 0.021 0.0172
Echinococcus multilocularis cyclin dependent kinase 0.0361 0.4594 0.4593
Trypanosoma cruzi cdc2-related kinase 3 0.0361 0.4594 1
Giardia lamblia Aurora kinase 0.0069 0.0789 0.1469
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0025 0.021 0.0209
Echinococcus granulosus Smad4 0.0009 0.0008 0.0007
Toxoplasma gondii NADPH-glutathione reductase 0.0093 0.1099 0.2028
Echinococcus multilocularis smad 0.0009 0.0008 0.0007
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0093 0.1099 0.1092
Entamoeba histolytica thioredoxin reductase, putative 0.0025 0.021 0.0172
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.1638 0.3564
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0093 0.1099 1
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0025 0.021 0.0236
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0069 0.0789 0.1469
Entamoeba histolytica protein kinase , putative 0.0069 0.0789 0.1469
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0069 0.0789 0.1469
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0008 0.0014
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0133 0.029
Echinococcus multilocularis cyclin dependent kinase 1 0.0361 0.4594 0.4593
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.021 0.0336
Brugia malayi CXXC zinc finger family protein 0.0028 0.0253 0.055
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0133 0.029
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0258 0.011
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0455 0.0447
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Schistosoma mansoni hypothetical protein 0.0013 0.0054 0.0047
Loa Loa (eye worm) hypothetical protein 0.0028 0.0258 0.0559
Echinococcus multilocularis aurora kinase A 0.0069 0.0789 0.0788
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.5073 0.5072
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0093 0.1099 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0258 0.011
Echinococcus granulosus cpg binding protein 0.003 0.0274 0.0272
Entamoeba histolytica hypothetical protein 0.0043 0.0455 0.072
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.021 0.0172
Brugia malayi cell division control protein 2 homolog 0.0361 0.4594 1
Plasmodium vivax protein kinase Crk2 0.0361 0.4594 1
Trypanosoma brucei cdc2-related kinase 3 0.0361 0.4594 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0455 0.0453
Trichomonas vaginalis mercuric reductase, putative 0.0093 0.1099 0.2165
Giardia lamblia Thioredoxin reductase 0.0025 0.021 0.0172
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0025 0.021 0.0793
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.012 0.0261
Echinococcus multilocularis GPCR, family 2 0.0018 0.012 0.0119
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0361 0.4594 1
Leishmania major trypanothione reductase 0.0268 0.3381 0.7281
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0025 0.021 0.0336
Giardia lamblia NADH oxidase lateral transfer candidate 0.0093 0.1099 0.2165
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0361 0.4594 0.4593
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0025 0.021 0.0172
Trichomonas vaginalis apoptosis inducing factor, putative 0.0025 0.021 0.0172
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0068 0.0778 0.1693
Brugia malayi Latrophilin receptor protein 2 0.0018 0.012 0.0261
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0093 0.1099 0.2973
Trypanosoma cruzi trypanothione reductase, putative 0.0093 0.1099 0.2165
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.0789 0.0781
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0133 0.0132
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0479 0.0477
Schistosoma mansoni hypothetical protein 0.0043 0.0455 0.0447
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0025 0.021 0.0172
Brugia malayi hypothetical protein 0.0028 0.0258 0.0562
Treponema pallidum NADH oxidase 0.0093 0.1099 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0619 0.1345
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0025 0.021 0.0209
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0455 0.0453
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0025 0.021 0.0209
Schistosoma mansoni cpg binding protein 0.003 0.0274 0.0266
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.0112
Brugia malayi MH2 domain containing protein 0.0134 0.1638 0.3566
Plasmodium vivax glutathione reductase, putative 0.0268 0.3381 0.7233
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0025 0.021 0.0209
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0661 0.0653
Trypanosoma cruzi cdc2-related kinase 1 0.0361 0.4594 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0025 0.021 0.0172
Echinococcus granulosus dna polymerase eta 0.0019 0.0133 0.0132
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0093 0.1099 0.2165
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0054 0.0053
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0093 0.1099 0.2165
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0093 0.1099 0.1098
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0479 0.0477
Mycobacterium tuberculosis Probable reductase 0.0025 0.021 0.0236
Trypanosoma cruzi NADH dehydrogenase, putative 0.0025 0.021 0.0172
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0025 0.021 0.0236
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0093 0.1099 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0268 0.3381 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0093 0.1099 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0093 0.1099 0.2296
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0025 0.021 0.0209
Schistosoma mansoni sulfide quinone reductase 0.0025 0.021 0.0202
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0093 0.1099 0.2296
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0133 0.0167
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0025 0.021 0.0172
Schistosoma mansoni hypothetical protein 0.0398 0.5073 0.5069
Entamoeba histolytica protein kinase, putative 0.0069 0.0789 0.1469
Trypanosoma cruzi cdc2-related kinase 3 0.0361 0.4594 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.012 0.0119
Loa Loa (eye worm) hypothetical protein 0.0018 0.012 0.0258
Loa Loa (eye worm) thioredoxin reductase 0.0268 0.3381 0.7359
Leishmania major NADH dehydrogenase, putative 0.0025 0.021 0.0172
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0025 0.021 0.0209
Schistosoma mansoni hypothetical protein 0.0038 0.0388 0.038
Brugia malayi MH2 domain containing protein 0.0009 0.0008 0.0017
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0361 0.4594 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0025 0.021 0.0236
Loa Loa (eye worm) glutathione reductase 0.0268 0.3381 0.7359
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0025 0.021 0.0793
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0025 0.021 0.0336
Loa Loa (eye worm) Smad1 0.0009 0.0008 0.0014
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0025 0.021 0.0209
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0069 0.0789 0.0788
Brugia malayi glutathione reductase 0.0268 0.3381 0.736
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0008 0.0014
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0025 0.021 0.0457
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0093 0.1099 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0479 0.0471
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0025 0.021 0.0793
Loa Loa (eye worm) hypothetical protein 0.017 0.2103 0.4576
Trichomonas vaginalis glutathione reductase, putative 0.0093 0.1099 0.2165
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0361 0.4594 1
Leishmania major hypothetical protein, conserved 0.0028 0.0258 0.028
Echinococcus granulosus geminin 0.0191 0.2372 0.2371
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0025 0.021 0.0209
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0361 0.4594 1
Echinococcus granulosus cyclin dependent kinase 5 0.0361 0.4594 0.4593
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0025 0.021 0.0172
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0008 0.0007
Entamoeba histolytica hypothetical protein 0.0043 0.0455 0.072
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0133 0.0167
Plasmodium vivax thioredoxin reductase, putative 0.0268 0.3381 0.7233
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0479 0.0477
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0025 0.021 0.0172
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0578 0.084
Trypanosoma brucei aurora B kinase 0.0069 0.0789 0.1612
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.1099 0.2973
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0361 0.4594 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0258 0.011
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0025 0.021 0.0336
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0388 0.0845
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0093 0.1099 0.2165
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0025 0.021 0.0236

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.079 mM Inhibition of human PDE4A1A by IMAP technology ChEMBL. 18243697
IC50 (binding) = 0.079 mM Inhibition of human PDE4A1A by IMAP technology ChEMBL. 18243697
Potency (functional) 0.5805 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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

1 literature reference was collected for this gene.

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