Detailed information for compound 132339

Basic information

Technical information
  • TDR Targets ID: 132339
  • Name: 5-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-y l)propoxy]phenyl]-3-methyl-1,2,4-oxadiazole
  • MW: 327.378 | Formula: C18H21N3O3
  • H donors: 0 H acceptors: 3 LogP: 4.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1noc(c1)CCCOc1c(C)cc(cc1C)c1onc(n1)C
  • InChi: 1S/C18H21N3O3/c1-11-8-15(18-19-14(4)21-24-18)9-12(2)17(11)22-7-5-6-16-10-13(3)20-23-16/h8-10H,5-7H2,1-4H3
  • InChiKey: VZZZNEKQXIAWCD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl]-3-methyl-1,2,4-oxadiazole
  • 5-[3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-3-methyl-1,2,4-oxadiazole
  • 1,2,4-Oxadiazole, 5-[3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-3-methyl-
  • AIDS-223094
  • AIDS223094

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0356 0.0805 1
Brugia malayi hypothetical protein 0.0141 0.03 0.369
Plasmodium vivax acyl-CoA synthetase, putative 0.004 0.0062 0.0709
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0053 0.0093 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0131 0.0126
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0356 0.0805 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0356 0.0805 1
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0088 0.1458
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0041 0.0454
Schistosoma mansoni fad oxidoreductase 0.0356 0.0805 0.08
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0356 0.0805 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0018 0.0191
Echinococcus multilocularis lamin 0.0031 0.0041 0.0194
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.0211 0.1065
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0057 0.0062
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0018 0.0191
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0292 0.0289
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0005 0.0006
Onchocerca volvulus 0.0259 0.0576 0.7136
Loa Loa (eye worm) hypothetical protein 0.0053 0.0093 0.0091
Plasmodium vivax pyruvate kinase 2, putative 0.002 0.0015 0.0121
Onchocerca volvulus 0.0031 0.0041 0.0454
Echinococcus multilocularis pyruvate kinase 0.002 0.0015 0.0057
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0131 0.0654
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.0068 0.0811
Brugia malayi RE18450p 0.0356 0.0805 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0131 0.0126
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0356 0.0805 1
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.0083 0.0977
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0131 0.0126
Onchocerca volvulus 0.0031 0.0041 0.0454
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.0211 0.2583
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0211 0.3601
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0018 0.0224
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0068 0.0798
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.0211 0.257
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0356 0.0805 1
Schistosoma mansoni pyruvate kinase 0.002 0.0015 0.001
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0018 0.0013
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0005 0.0006
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0356 0.0805 0.08
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0057 0.0062
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0211 0.3601
Loa Loa (eye worm) oxidoreductase 0.0016 0.0005 0.0003
Schistosoma mansoni pyruvate kinase 0.0038 0.0059 0.0054
Loa Loa (eye worm) hypothetical protein 0.004 0.0062 0.0059
Onchocerca volvulus 0.0053 0.0093 0.1104
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0059 0.0056
Entamoeba histolytica acyl-CoA synthetase, putative 0.0053 0.0093 0.1104
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0088 0.1458
Schistosoma mansoni NAD dehydrogenase 0.0356 0.0805 0.08
Onchocerca volvulus 0.005 0.0086 0.1013
Brugia malayi Pre-SET motif family protein 0.0227 0.0502 0.6214
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0005 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0068 0.0781
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0356 0.0805 1
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0059 0.0054
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.0171 0.0863
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0209 0.0205
Echinococcus multilocularis pyruvate kinase 0.003 0.004 0.0186
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0093 0.1104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0209 0.1059
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0008 0.0005
Trypanosoma brucei polo-like protein kinase 0.0103 0.0211 0.2593
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.0211 0.257
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0843 0.1947 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.0171 0.0166
Loa Loa (eye worm) hypothetical protein 0.0086 0.0171 0.0169
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0356 0.0805 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.4275 1 1
Schistosoma mansoni hypothetical protein 0.0195 0.0427 0.0422
Loa Loa (eye worm) hypothetical protein 0.0038 0.0059 0.0056
Echinococcus granulosus pyruvate kinase 0.002 0.0015 0.0139
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0025 0.002
Brugia malayi RNA binding protein 0.0069 0.0131 0.1572
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0059 0.0671
Loa Loa (eye worm) hypothetical protein 0.0031 0.0041 0.0039
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0041 0.0039
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0356 0.0805 0.08
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0211 0.3601
Loa Loa (eye worm) RNA binding protein 0.0069 0.0131 0.0129
Onchocerca volvulus Putative fad oxidoreductase 0.0356 0.0805 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.0171 0.2078
Schistosoma mansoni fad oxidoreductase 0.0356 0.0805 0.08
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0018 0.0016
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0356 0.0805 1
Schistosoma mansoni survival motor neuron protein 0.005 0.0086 0.0081
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0356 0.0805 0.08
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.004 0.0062 0.0059
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0356 0.0805 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0053 0.0093 0.0102
Loa Loa (eye worm) hypothetical protein 0.0356 0.0805 0.0802
Loa Loa (eye worm) hypothetical protein 0.004 0.0062 0.0059
Brugia malayi TAR-binding protein 0.0069 0.0131 0.1572
Schistosoma mansoni DNA polymerase eta 0.0049 0.0083 0.0078
Loa Loa (eye worm) hypothetical protein 0.004 0.0062 0.0059
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0093 0.0088
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0068 0.1094
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0356 0.0805 0.4122
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0045 0.004
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0018 0.002
Echinococcus granulosus dna polymerase kappa 0.0021 0.0018 0.0178
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0045 0.004
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.0068 0.0781
Chlamydia trachomatis D-amino acid dehydrogenase 0.0356 0.0805 1
Leishmania major pyruvate kinase 0.0038 0.0059 0.0671
Echinococcus granulosus dna polymerase eta 0.0049 0.0083 0.0993
Brugia malayi hypothetical protein 0.0246 0.0545 0.6758
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0093 0.1104
Leishmania major DNA polymerase eta, putative 0.0049 0.0083 0.0977
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0059 0.0056
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0053 0.0093 0.0102
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0053 0.0093 0.0088
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0068 0.0781
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0053 0.0093 0.0088
Loa Loa (eye worm) hypothetical protein 0.0027 0.0031 0.0029
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0356 0.0805 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0025 0.002
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.0068 0.0781
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0356 0.0805 0.08
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0025 0.0255
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.0068 0.0781
Schistosoma mansoni d-amino acid oxidase 0.4275 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0018 0.0191
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0001
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0356 0.0805 0.08
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0018 0.0224
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0093 0.1104
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0049 0.055
Leishmania major DNA polymerase kappa, putative 0.0021 0.0018 0.016
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0131 0.0126
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0068 0.0329
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Onchocerca volvulus 0.0033 0.0045 0.0498
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0016 0.0005 0.0007
Giardia lamblia Pyruvate kinase 0.0038 0.0059 0.0557
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0018 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0005 0.0003
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.0545 0.6764
Schistosoma mansoni ap endonuclease 0.0042 0.0068 0.0062
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0053 0.0093 0.0088
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.0545 0.2788
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0356 0.0805 0.0802
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0053 0.0093 0.0088
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0018 0.0178
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0059 0.094
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.0031 0.0329
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0031 0.0029
Loa Loa (eye worm) hypothetical protein 0.0031 0.004 0.0038
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0059 0.0056
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0059 0.0671
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0059 0.094
Loa Loa (eye worm) hypothetical protein 0.004 0.0062 0.0059
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.0068 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0057 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0045 0.004
Echinococcus granulosus pyruvate kinase 0.0038 0.0059 0.0688
Onchocerca volvulus Huntingtin homolog 0.0141 0.03 0.369
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0292 0.0289
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0131 0.0126
Mycobacterium ulcerans D-amino acid oxidase Aao 0.4275 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0018 0.016
Brugia malayi cDNA sequence BC016226 0.0356 0.0805 1
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0059 0.0671
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0059 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0025 0.0255
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0025 0.0255
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0068 0.1094
Leishmania major pyruvate kinase 0.0038 0.0059 0.0671
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0008 0.003
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0059 0.0701
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0356 0.0805 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0003
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0005 0.0003
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0356 0.0805 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0059 0.0671
Loa Loa (eye worm) hypothetical protein 0.0053 0.0093 0.0091
Echinococcus granulosus pyruvate kinase 0.0038 0.0059 0.0688
Leishmania major hypothetical protein, conserved 0.0356 0.0805 1
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0025 0.0255
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0018 0.0013
Schistosoma mansoni hypothetical protein 0.005 0.0086 0.0081
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0018 0.0073
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0356 0.0805 1
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0093 0.1104
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0045 0.0212
Echinococcus granulosus lamin 0.0031 0.0041 0.0472
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0005 0.0006
Schistosoma mansoni hypothetical protein 0.0195 0.0427 0.0422
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.0059 0.0064
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0356 0.0805 1
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0131 0.0129
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0211 0.3601
Schistosoma mansoni kinase 0.0052 0.0091 0.0086
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.0068 0.0062
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0356 0.0805 0.08
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0025 0.002
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0356 0.0805 0.0878
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0209 0.257
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0041 0.0039
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.0068 0.0668
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.0211 0.257
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0059 0.0671
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0356 0.0805 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0093 0.1104
Echinococcus multilocularis pyruvate kinase 0.002 0.0015 0.0057
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0068 0.0781
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0018 0.016
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0005 0.0006
Echinococcus multilocularis pyruvate kinase 0.0038 0.0059 0.0283
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.0083 0.1006
Chlamydia trachomatis pyruvate kinase 0.0038 0.0059 0.0427
Entamoeba histolytica acyl-CoA synthetase, putative 0.0053 0.0093 0.1104
Plasmodium vivax SET domain protein, putative 0.0033 0.0045 0.0498
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0093 0.1104
Echinococcus granulosus intermediate filament protein 0.0031 0.0041 0.0472
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0356 0.0805 1
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0211 0.3601
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0025 0.0286
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0053 0.0093 0.0088
Brugia malayi Pre-SET motif family protein 0.0033 0.0045 0.0498
Plasmodium falciparum pyruvate kinase 2 0.002 0.0015 0.0121
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.0502 0.05
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0018 0.016
Schistosoma mansoni intermediate filament proteins 0.0031 0.0041 0.0036
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0005 0.0006
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0356 0.0805 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0093 0.0088
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0042 0.048
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.0068 0.0781
Schistosoma mansoni ap endonuclease 0.0042 0.0068 0.0062
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0059 0.0671
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0356 0.0805 1
Trypanosoma brucei unspecified product 0.0021 0.0018 0.0191
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0005 0.0006
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0356 0.0805 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.03 0.0298
Loa Loa (eye worm) hypothetical protein 0.0053 0.0093 0.0091
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0059 0.0671
Schistosoma mansoni pyruvate kinase 0.0038 0.0059 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0209 0.0205
Brugia malayi MH2 domain containing protein 0.0138 0.0292 0.3584
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.0209 0.2557
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0356 0.0805 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0045 0.0515
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0016 0.0005 0.0032
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0045 0.0498
Giardia lamblia DINP protein human, muc B family 0.0021 0.0018 0.0039
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0005 0.0006
Echinococcus multilocularis lamin dm0 0.0031 0.0041 0.0194
Onchocerca volvulus Huntingtin homolog 0.0141 0.03 0.369
Echinococcus granulosus tar DNA binding protein 0.0069 0.0131 0.1587
Onchocerca volvulus 0.0086 0.0171 0.2078
Loa Loa (eye worm) hypothetical protein 0.0033 0.0045 0.0043
Toxoplasma gondii exonuclease III APE 0.0042 0.0068 0.0781
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0018 0.016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0209 0.1059
Giardia lamblia Kinase, PLK 0.0103 0.0211 0.2479
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0018 0.016
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.0211 0.0206
Trichomonas vaginalis set domain proteins, putative 0.0259 0.0576 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0018 0.0013
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0131 0.1572
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0018 0.0013
Toxoplasma gondii hypothetical protein 0.0356 0.0805 1
Echinococcus multilocularis musashi 0.0031 0.0041 0.0194
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0086 0.1013
Echinococcus granulosus pyruvate kinase 0.002 0.0015 0.0139
Leishmania major DNA polymerase eta, putative 0.0034 0.0049 0.055
Echinococcus multilocularis geminin 0.0195 0.0427 0.2179
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0016 0.0005 0.0018
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0356 0.0805 1
Echinococcus multilocularis dna polymerase eta 0.0049 0.0083 0.0409
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0356 0.0805 0.08
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.0211 0.257
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0211 0.3601
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0018 0.016
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0356 0.0805 1
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0356 0.0805 0.4122
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.0059 0.0054
Echinococcus multilocularis pyruvate kinase 0.0038 0.0059 0.0283
Echinococcus granulosus lamin dm0 0.0031 0.0041 0.0472
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.3918 0.9164 1
Leishmania major hypothetical protein, conserved 0.0356 0.0805 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0018 0.0073
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0018 0.016
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Loa Loa (eye worm) hypothetical protein 0.0246 0.0545 0.0543
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0059 0.0701
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.0211 0.257
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0005 0.0006
Entamoeba histolytica acyl-coA synthetase, putative 0.0053 0.0093 0.1104
Echinococcus granulosus pyruvate kinase 0.002 0.0015 0.0139
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0131 0.0129
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0045 0.004
Mycobacterium ulcerans fatty-acid-CoA ligase 0.004 0.0062 0.0057
Mycobacterium ulcerans hypothetical protein 0.0053 0.0093 0.0088
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0057 0.0062
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0005 0.0032
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.004 0.0062 0.0466
Echinococcus granulosus geminin 0.0195 0.0427 0.5288
Toxoplasma gondii pyruvate kinase PyKII 0.002 0.0015 0.0121
Schistosoma mansoni lamin 0.0031 0.0041 0.0036
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0356 0.0805 0.08
Schistosoma mansoni lamin 0.0031 0.0041 0.0036
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.0068 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.0068 0.0074
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0018 0.0191
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0005 0.0006
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0093 0.0088
Loa Loa (eye worm) hypothetical protein 0.0141 0.03 0.0298
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.0171 0.2093
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0045 0.0212
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0356 0.0805 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.0209 0.0207
Plasmodium falciparum pyruvate kinase 0.0038 0.0059 0.0671
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.0083 0.0977
Brugia malayi intermediate filament protein 0.0031 0.0041 0.0454
Entamoeba histolytica hypothetical protein 0.0024 0.0025 0.0255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0209 0.0205
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0356 0.0805 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.0211 0.0208
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0025 0.0255
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0068 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0211 0.3601
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0025 0.0028
Loa Loa (eye worm) hypothetical protein 0.0356 0.0805 0.0802
Loa Loa (eye worm) hypothetical protein 0.0049 0.0083 0.0081
Plasmodium falciparum acyl-CoA synthetase 0.004 0.0062 0.0709
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0059 0.0671
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0209 0.257
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.004 0.0062 0.0067
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0049 0.055
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.0211 0.257
Loa Loa (eye worm) hypothetical protein 0.0356 0.0805 0.0802
Echinococcus multilocularis pyruvate kinase 0.002 0.0015 0.0057

Activities

Activity type Activity value Assay description Source Reference
logP (ADMET) = 3.2 Partition coefficient (logP) ChEMBL. No reference
Mean activity (functional) = 0.22 uM Antirhinoviral activity against Human Rhinovirus serotypes R1A, R1B, R2, R6, R14, R15, R21, R22, R25, R30, R41, R50, R67, R86 and R89 ChEMBL. No reference
MIC80 (functional) = 0.73 uM In vitro concentration required to inhibit 80 percent of human rhinovirus 15 serotypes was determined by TCID50 assay ChEMBL. 8057290

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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