Detailed information for compound 1121778

Basic information

Technical information
  • TDR Targets ID: 1121778
  • Name: STK115281
  • MW: 425.504 | Formula: C21H23N5O3S
  • H donors: 2 H acceptors: 4 LogP: 1.89 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)NCc1nnc(n1C)SCC(=O)Nc1ccccc1
  • InChi: 1S/C21H23N5O3S/c1-26-18(13-22-19(27)12-15-8-10-17(29-2)11-9-15)24-25-21(26)30-14-20(28)23-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,27)(H,23,28)
  • InChiKey: HSQXNNFHFQDCAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000662543
  • N-({5-[(2-anilino-2-oxoethyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-(4-methoxyphenyl)acetamide
  • SMR000292432

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0373 0.0689
Brugia malayi Bromodomain containing protein 0.0079 0.1938 0.3577
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0295 0.0275
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0247 0.1959
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0295 0.0545
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0373 0.8039
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0169 0.0897
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0404 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0295 0.0508
Loa Loa (eye worm) hypothetical protein 0.0045 0.0979 0.1775
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0295 0.0275
Echinococcus granulosus pyruvate kinase 0.0035 0.0703 0.0683
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0326 0.0565
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.009 0.2272 0.8461
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0295 0.0275
Schistosoma mansoni hypothetical protein 0.0032 0.0628 0.0608
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0021 0.0039
Plasmodium falciparum pyruvate kinase 0.0035 0.0703 0.8192
Trypanosoma brucei trypanothione reductase 0.004 0.0836 1
Brugia malayi Bromodomain containing protein 0.004 0.085 0.1569
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0373 0.0689
Brugia malayi steroid hormone receptor 0.0021 0.0295 0.0545
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.022 0.0199
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1276 0.2325
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.3253 0.5991
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0247 0.2392
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0373 0.0652
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0238 0.0402
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0295 0.0275
Brugia malayi glutathione reductase 0.004 0.0836 0.1543
Echinococcus multilocularis musashi 0.0031 0.0577 0.0556
Brugia malayi PHD-finger family protein 0.0026 0.0453 0.0836
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Loa Loa (eye worm) hypothetical protein 0.0102 0.2603 0.4785
Trichomonas vaginalis set domain proteins, putative 0.023 0.6204 1
Schistosoma mansoni hypothetical protein 0.0022 0.0326 0.0305
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.3332 0.3317
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1276 0.1257
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0295 0.0508
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0176 0.0287
Plasmodium vivax SET domain protein, putative 0.0029 0.0532 0.5858
Echinococcus multilocularis lamin 0.0031 0.0577 0.0556
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0295 0.0545
Plasmodium vivax glutathione reductase, putative 0.004 0.0836 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0295 0.0275
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0131 0.0109
Echinococcus granulosus GPCR family 2 0.0032 0.0628 0.0608
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0383 0.0362
Echinococcus granulosus dna polymerase kappa 0.0023 0.0373 0.0353
Echinococcus multilocularis pyruvate kinase 0.0018 0.0222 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0169 0.0897
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0851 0.0831
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0703 0.0984
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.022 0.0199
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0703 0.0691
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0295 0.0275
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0169 0.0897
Onchocerca volvulus 0.0031 0.0577 0.0476
Schistosoma mansoni bromodomain containing protein 0.0066 0.159 0.1572
Schistosoma mansoni coup transcription factor 0.0021 0.0295 0.0275
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0628 0.0608
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1276 0.1257
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0295 0.0275
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0628 0.1125
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0131 0.0109
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0247 0.1959
Giardia lamblia DINP protein human, muc B family 0.0023 0.0373 0.4501
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.1484 0.1466
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0295 0.0545
Loa Loa (eye worm) hypothetical protein 0.0015 0.0131 0.0203
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.2603 0.4805
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0295 0.0275
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.0703 0.8192
Trypanosoma brucei unspecified product 0.0016 0.0169 0.0897
Loa Loa (eye worm) hypothetical protein 0.0023 0.0373 0.0652
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0532 0.0512
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0295 0.0275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1276 0.1257
Leishmania major trypanothione reductase 0.004 0.0836 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0295 0.0275
Schistosoma mansoni hypothetical protein 0.0364 1 1
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0836 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0295 0.0275
Loa Loa (eye worm) hypothetical protein 0.0035 0.0703 0.1264
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0836 0.151
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0103 0.0082
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.1484 0.1466
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0222 0.1624
Echinococcus granulosus pyruvate kinase 0.0018 0.0222 0.0201
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0628 0.0608
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0101 0.2558 1
Echinococcus granulosus pyruvate kinase 0.0018 0.0222 0.0201
Echinococcus multilocularis lamin dm0 0.0031 0.0577 0.0556
Echinococcus multilocularis zinc finger protein 0.0021 0.0295 0.0274
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.3332 0.3317
Loa Loa (eye worm) hypothetical protein 0.003 0.0561 0.1
Schistosoma mansoni zinc finger protein 0.0021 0.0295 0.0274
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0373 0.1101
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0247 0.1959
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0295 0.0275
Trypanosoma brucei ISWI complex protein 0.0016 0.0168 0.0886
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0295 0.0275
Mycobacterium tuberculosis Probable oxidoreductase 0.0101 0.2558 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0295 0.0545
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.022 0.0199
Schistosoma mansoni DNA polymerase eta 0.0023 0.0373 0.0353
Leishmania major hypothetical protein, conserved 0.0016 0.0168 0.0886
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0502 0.0482
Echinococcus granulosus dna polymerase eta 0.0023 0.0373 0.0353
Schistosoma mansoni ap endonuclease 0.0019 0.0247 0.0226
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0373 0.3687
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0021 0.0039
Trypanosoma brucei pyruvate kinase 1 0.0035 0.0703 0.8192
Echinococcus multilocularis thyroid hormone receptor alpha 0.0149 0.3912 0.3899
Trypanosoma cruzi ISWI complex protein 0.0016 0.0168 0.0886
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0295 0.0508
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0247 0.1959
Toxoplasma gondii exonuclease III APE 0.0019 0.0247 0.1959
Schistosoma mansoni thyroid hormone receptor 0.0149 0.3912 0.3899
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1276 0.1257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1276 0.1257
Loa Loa (eye worm) glutathione reductase 0.004 0.0836 0.151
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0295 0.0275
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0703 0.0691
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0703 0.8192
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0295 0.0275
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0295 0.0545
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0836 0.2985
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0373 0.0353
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1038 0.1019
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0247 0.0226
Chlamydia trachomatis pyruvate kinase 0.0035 0.0703 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0577 0.0556
Brugia malayi nuclear receptor NHR-88 0.0021 0.0295 0.0545
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0628 0.0608
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0703 0.0984
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0247 0.0418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0295 0.0508
Echinococcus multilocularis pyruvate kinase 0.0035 0.0703 0.0683
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0577 0.1065
Loa Loa (eye worm) hypothetical protein 0.0014 0.0115 0.0173
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0295 0.0508
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0703 0.8192
Onchocerca volvulus 0.0029 0.0532 0.0401
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0383 0.0362
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0295 0.0275
Loa Loa (eye worm) hypothetical protein 0.0014 0.0115 0.0173
Leishmania major pyruvate kinase 0.0035 0.0703 0.8192
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0628 0.116
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0703 0.1299
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0247 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0373 0.3687
Schistosoma mansoni hypothetical protein 0.0016 0.0168 0.0147
Schistosoma mansoni zinc finger protein 0.0016 0.0168 0.0147
Brugia malayi MH2 domain containing protein 0.0125 0.3253 0.6007
Loa Loa (eye worm) hypothetical protein 0.0047 0.1038 0.1884
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.078 0.076
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.5416 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0295 0.0545
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0373 0.3687
Brugia malayi Pre-SET motif family protein 0.0029 0.0532 0.0983
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0373 0.3687
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0101 0.2558 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0295 0.0545
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.2272 0.8837
Schistosoma mansoni hypothetical protein 0.0128 0.3332 0.3317
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0373 0.0353
Schistosoma mansoni pyruvate kinase 0.0035 0.0703 0.0683
Echinococcus multilocularis pyruvate kinase 0.0035 0.0703 0.0683
Brugia malayi hypothetical protein 0.0011 0.0021 0.0039
Echinococcus multilocularis geminin 0.0364 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Echinococcus granulosus lamin 0.0031 0.0577 0.0556
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0373 0.4501
Loa Loa (eye worm) hypothetical protein 0.004 0.0852 0.1539
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0373 0.3687
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0373 0.0353
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Echinococcus multilocularis pyruvate kinase 0.0018 0.0222 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0247 0.0455
Toxoplasma gondii thioredoxin reductase 0.004 0.0836 1
Echinococcus granulosus pyruvate kinase 0.0035 0.0703 0.0683
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0703 0.1264
Echinococcus granulosus lamin dm0 0.0031 0.0577 0.0556
Schistosoma mansoni ap endonuclease 0.0019 0.0247 0.0226
Brugia malayi intermediate filament protein 0.0031 0.0577 0.1065
Onchocerca volvulus 0.0031 0.0577 0.0476
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0222 0.1624
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.2272 0.8837
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Schistosoma mansoni hypothetical protein 0.0032 0.0628 0.0608
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0295 0.0275
Schistosoma mansoni hypothetical protein 0.007 0.1689 0.1671
Loa Loa (eye worm) hypothetical protein 0.0074 0.1811 0.3317
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0577 0.1029
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0247 0.0235
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0703 0.8192
Loa Loa (eye worm) hypothetical protein 0.0031 0.0577 0.1029
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0851 0.0831
Echinococcus granulosus pyruvate kinase 0.0018 0.0222 0.0201
Plasmodium falciparum glutathione reductase 0.004 0.0836 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0295 0.0545
Schistosoma mansoni hypothetical protein 0.0032 0.0628 0.0608
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0373 0.0353
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0222 0.1624
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0628 0.0608
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1689 0.3118
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0295 0.0545
Trypanosoma brucei unspecified product 0.0016 0.0169 0.0897
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0295 0.0545
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.2272 0.8837
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0373 0.4501
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0295 0.0545
Brugia malayi nuclear receptor RXR 0.0011 0.0021 0.0039
Schistosoma mansoni hypothetical protein 0.0364 1 1
Echinococcus granulosus zinc finger protein 0.0021 0.0295 0.0274
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0295 0.0275
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0628 0.116
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0103 0.019
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0295 0.0545
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.2603 0.4785
Echinococcus multilocularis pyruvate kinase 0.0018 0.0222 0.0201
Schistosoma mansoni lamin 0.0031 0.0577 0.0556
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0176 0.0326
Schistosoma mansoni hypothetical protein 0.0032 0.0628 0.0608
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Schistosoma mansoni pyruvate kinase 0.0018 0.0222 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0295 0.0545
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0532 0.0512
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0295 0.0545
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0295 0.0275
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0247 0.1959
Mycobacterium tuberculosis Probable reductase 0.009 0.2272 0.8837
Schistosoma mansoni intermediate filament proteins 0.0031 0.0577 0.0556
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0577 0.1029
Echinococcus multilocularis GPCR, family 2 0.0032 0.0628 0.0608
Leishmania major DNA polymerase eta, putative 0.0023 0.0373 0.3687
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.2603 0.4805
Giardia lamblia Pyruvate kinase 0.0018 0.0222 0.1982
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0373 0.0443
Mycobacterium ulcerans pyruvate kinase 0.0035 0.0703 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0247 0.0585
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0295 0.0545
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0404 0.071
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0532 0.0512
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.3253 0.5991
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0703 0.8192
Echinococcus multilocularis dna polymerase eta 0.0023 0.0373 0.0353
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0295 0.0275
Trypanosoma brucei unspecified product 0.0023 0.0373 0.3687
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0247 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1038 0.1019
Loa Loa (eye worm) hypothetical protein 0.0024 0.0404 0.071
Loa Loa (eye worm) hypothetical protein 0.0043 0.0922 0.167
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0247 0.0235
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0101 0.2558 1
Brugia malayi Pre-SET motif family protein 0.0202 0.5416 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0295 0.0508
Brugia malayi Thioredoxin reductase 0.004 0.0836 0.1543
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.078 0.076
Schistosoma mansoni thyroid hormone receptor 0.0149 0.3912 0.3899
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0373 0.1101
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0295 0.0275
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0703 0.1264
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0373 0.0353
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0295 0.0508
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1038 0.1019
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0295 0.0275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1276 0.1257
Loa Loa (eye worm) hypothetical protein 0.0032 0.0628 0.1125
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0373 0.3687
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0247 0.1959
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.2272 0.8837
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0295 0.0275
Schistosoma mansoni lamin 0.0031 0.0577 0.0556
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.2272 0.8837
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0011 0.0014 0.0025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1038 0.1019
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0103 0.0082
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0247 0.0226
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0295 0.0275
Trypanosoma cruzi ISWI complex protein 0.0016 0.0168 0.0886
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0703 0.1264
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0295 0.0275
Onchocerca volvulus 0.023 0.6204 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0295 0.0545
Giardia lamblia Pyruvate kinase 0.0035 0.0703 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1276 0.2356
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0836 1
Leishmania major pyruvate kinase 0.0035 0.0703 0.8192
Brugia malayi nuclear hormone receptor 0.0021 0.0295 0.0545
Brugia malayi hypothetical protein 0.0011 0.0021 0.0039
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.0703 0.2445
Schistosoma mansoni pyruvate kinase 0.0035 0.0703 0.0683
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0383 0.0362
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0295 0.0508
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0295 0.0275
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0532 0.5858
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1276 0.1257
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0295 0.0275
Loa Loa (eye worm) hypothetical protein 0.007 0.1689 0.3091
Loa Loa (eye worm) hypothetical protein 0.0021 0.0295 0.0508
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.022 0.0199
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0703 0.0691
Brugia malayi ecdysteroid receptor 0.0021 0.0295 0.0545
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0247 0.2392
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0373 0.0443
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0103 0.0082
Plasmodium falciparum thioredoxin reductase 0.004 0.0836 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0373 0.3687
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0703 0.1299
Echinococcus multilocularis pyruvate kinase 0.0028 0.0495 0.0475

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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

No literature references available for this target.

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