Detailed information for compound 220192

Basic information

Technical information
  • TDR Targets ID: 220192
  • Name: ethyl 4-(4,5-difluoro-6,7-dimethoxy-1-oxoisoq uinolin-2-yl)butanoate
  • MW: 355.333 | Formula: C17H19F2NO5
  • H donors: 0 H acceptors: 2 LogP: 1.93 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CCCn1cc(F)c2c(c1=O)cc(c(c2F)OC)OC
  • InChi: 1S/C17H19F2NO5/c1-4-25-13(21)6-5-7-20-9-11(18)14-10(17(20)22)8-12(23-2)16(24-3)15(14)19/h8-9H,4-7H2,1-3H3
  • InChiKey: ULPMXVYRGBLNBO-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • ethyl 4-(4,5-difluoro-6,7-dimethoxy-1-oxo-2-isoquinolyl)butanoate
  • 4-(4,5-difluoro-6,7-dimethoxy-1-oxo-2-isoquinolyl)butanoic acid ethyl ester
  • ethyl 4-(4,5-difluoro-6,7-dimethoxy-1-oxo-isoquinolin-2-yl)butanoate
  • 4-(4,5-difluoro-1-keto-6,7-dimethoxy-2-isoquinolyl)butyric acid ethyl ester

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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0005
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.0182 0.0182
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0006 0.0006
Brugia malayi PXA domain containing protein 0.0019 0.0007 0.0003
Entamoeba histolytica hypothetical protein 0.0039 0.0023 0.2743
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0009 0.0004
Brugia malayi MH2 domain containing protein 0.0263 0.0208 0.0205
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0018 0.0021
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.003 0.0026
Schistosoma mansoni pyruvate kinase 0.0035 0.002 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0007 0.004
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0007 0.0006
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0011 0.0007
Loa Loa (eye worm) hypothetical protein 0.0029 0.0015 0.0014
Brugia malayi Smad1 0.0018 0.0006 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0018 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0067 0.0485
Plasmodium falciparum importin beta, putative 0.003 0.0016 0.0013
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0006 0.0006
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0007 0.0007
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0007 0.0006
Trypanosoma brucei polo-like protein kinase 0.0093 0.0067 0.0083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Brugia malayi intermediate filament protein 0.0029 0.0015 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0006 0.0006
Echinococcus multilocularis expressed protein 0.0366 0.0293 0.0293
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.002 0.0024
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0007 0.0006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0068 0.0068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0007 0.0006
Schistosoma mansoni survival motor neuron protein 0.0047 0.003 0.003
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0007 0.0006
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0007 0.0005
Entamoeba histolytica hypothetical protein 0.0039 0.0023 0.2743
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0067 0.0076
Loa Loa (eye worm) hypothetical protein 0.0232 0.0182 0.0181
Echinococcus multilocularis smad 0.0018 0.0006 0.0006
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 1.2125 1 1
Entamoeba histolytica Ran family GTPase 0.0022 0.0009 0.0471
Echinococcus multilocularis pyruvate kinase 0.0018 0.0006 0.0006
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0007 0.0003
Schistosoma mansoni hypothetical protein 0.0039 0.0023 0.0023
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0007 0.0002
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0007 0.004
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0016 0.0019
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0068 0.0067
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0009 0.0005
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0027 0.0013 0.0009
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 1.2125 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0067 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0015 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Brugia malayi hypothetical protein 0.1669 0.1369 0.1366
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0007 0.0007
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0067 0.0066
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0009 0.0003
Brugia malayi MH1 domain containing protein 0.0018 0.0006 0.0002
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.002 0.0016
Loa Loa (eye worm) hypothetical protein 0.0106 0.0079 0.0078
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0007 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0007 0.004
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0011 0.001
Schistosoma mansoni Smad4 0.0018 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0032 0.0018 0.0017
Schistosoma mansoni smad1 5 8 and 0.0018 0.0006 0.0006
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0007 0.0006
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.9688 0.7988 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0013 0.0087
Mycobacterium ulcerans pyruvate kinase 0.0035 0.002 0.0013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0019 0.0019
Schistosoma mansoni lamin 0.0029 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0009
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0003 0.0003
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0007 0.0007
Brugia malayi hypothetical protein 0.0039 0.0023 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0005
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.0067 1
Echinococcus granulosus dihydrofolate reductase 1.2125 1 1
Brugia malayi thymidylate synthase 0.3509 0.2888 0.2885
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0003 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0011 0.0761
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0018 0.0018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.0079 0.0075
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0007 0.0006
Echinococcus multilocularis importin subunit beta 1 0.003 0.0016 0.0016
Echinococcus multilocularis serine protein kinase ATM 0.0027 0.0013 0.0013
Brugia malayi PXA domain containing protein 0.0019 0.0007 0.0003
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.002 0.0016
Schistosoma mansoni hypothetical protein 0.0034 0.0019 0.0019
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0007 0.0006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0019 0.0019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0007 0.0007
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0007 0.0006
Brugia malayi Dihydrofolate reductase 1.2125 1 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.002 0.0024
Leishmania major hypothetical protein, conserved 0.0025 0.0011 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0007 0.0237
Schistosoma mansoni pyruvate kinase 0.0018 0.0006 0.0006
Loa Loa (eye worm) thymidylate synthase 0.3509 0.2888 0.2887
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0007 0.004
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.002 0.0013
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.002 0.0016
Schistosoma mansoni hypothetical protein 0.0323 0.0257 0.0257
Echinococcus multilocularis GPCR, family 2 0.0034 0.0019 0.0019
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0007 0.0007
Echinococcus granulosus thymidylate synthase 0.3509 0.2888 0.2887
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0011 0.0013
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0009 0.0004
Schistosoma mansoni ap endonuclease 0.002 0.0007 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0007 0.004
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0007 0.0007
Loa Loa (eye worm) pyruvate kinase 0.0035 0.002 0.0019
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0007 0.0007
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0007 0.0007
Echinococcus multilocularis lamin 0.0029 0.0015 0.0015
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0019 0.0019
Schistosoma mansoni smad 0.0018 0.0006 0.0006
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0067 0.0485
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0007 0.0007
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0067 0.0485
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0001
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0007 0.0003
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0007 0.0005
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0009 0.0009
Echinococcus multilocularis pyruvate kinase 0.0028 0.0014 0.0014
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0007 0.0007
Toxoplasma gondii FATC domain-containing protein 0.0027 0.0013 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.1669 0.1369 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0004 0.0003
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.002 0.0016
Schistosoma mansoni lamin 0.0029 0.0015 0.0015
Echinococcus multilocularis snurportin 1 0.0323 0.0257 0.0257
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0027 0.0013 0.0015
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0007 0.0006
Echinococcus granulosus lamin dm0 0.0029 0.0015 0.0015
Echinococcus multilocularis musashi 0.0029 0.0015 0.0015
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0015 0.0011
Entamoeba histolytica hypothetical protein 0.0039 0.0023 0.2743
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0006 0.0005
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0015 0.0014
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0067 0.0076
Loa Loa (eye worm) hypothetical protein 0.0029 0.0015 0.0014
Mycobacterium ulcerans dihydrofolate reductase DfrA 1.2125 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0019 0.0019
Echinococcus granulosus intermediate filament protein 0.0029 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0323 0.0257 0.0256
Leishmania major pyruvate kinase 0.0035 0.002 0.0016
Loa Loa (eye worm) transcription factor SMAD2 0.0263 0.0208 0.0207
Schistosoma mansoni ap endonuclease 0.002 0.0007 0.0007
Trichomonas vaginalis ran, putative 0.0022 0.0009 0.0061
Loa Loa (eye worm) hypothetical protein 0.0035 0.002 0.0019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Loa Loa (eye worm) hypothetical protein 0.0073 0.0051 0.005
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0007 0.0006
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0007 0.0007
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0019 0.0015
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0007 0.0007
Schistosoma mansoni kinase 0.0047 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0005
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0067 0.0067
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0051 0.0047
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0007 0.0007
Echinococcus granulosus expressed protein 0.0366 0.0293 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus multilocularis pyruvate kinase 0.0035 0.002 0.002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0019 0.0019
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.002 0.0016
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0023 0.0023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0023 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0005
Brugia malayi Pre-SET motif family protein 0.0032 0.0018 0.0014
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0016 0.0019
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0016 0.0019
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0009 0.0576
Mycobacterium ulcerans thymidylate synthase 0.3509 0.2888 0.2882
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0011 0.0006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0068 0.0067
Schistosoma mansoni importin beta-1 0.003 0.0016 0.0016
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.9688 0.7988 1
Mycobacterium tuberculosis Hypothetical protein 0.1669 0.1369 0.1363
Brugia malayi hypothetical protein 0.0019 0.0007 0.0003
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.9688 0.7988 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0007 0.0003
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0027 0.0013 0.0007
Schistosoma mansoni hypothetical protein 0.0034 0.0019 0.0019
Leishmania major importin beta-1 subunit, putative 0.0025 0.0011 0.0005
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0009 0.0008
Echinococcus multilocularis dihydrofolate reductase 1.2125 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0068 0.0068
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0011 0.0075
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0067 0.0067
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.002 0.0016
Brugia malayi RNA, U transporter 1 0.0086 0.0062 0.0058
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0007 0.0006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0068 0.0067
Echinococcus multilocularis lamin dm0 0.0029 0.0015 0.0015
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0067 0.0067
Loa Loa (eye worm) pyruvate kinase 0.0035 0.002 0.0019
Loa Loa (eye worm) Smad1 0.0018 0.0006 0.0005
Echinococcus granulosus pyruvate kinase 0.0035 0.002 0.002
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0009 0.0003
Loa Loa (eye worm) hypothetical protein 0.0034 0.0019 0.0018
Loa Loa (eye worm) pyruvate kinase 0.0035 0.002 0.0019
Schistosoma mansoni ran 0.0022 0.0009 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.002 0.0016
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0007 0.0006
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0007 0.0007
Echinococcus granulosus pyruvate kinase 0.0018 0.0006 0.0006
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0029 0.0203
Schistosoma mansoni dihydrofolate reductase 1.2125 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0023 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0018 0.0018
Echinococcus granulosus importin subunit beta 1 0.003 0.0016 0.0016
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0011 0.0007
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0007 0.0003
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0027 0.0013 0.1054
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0007 0.0006
Entamoeba histolytica hypothetical protein 0.0025 0.0011 0.0778
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0007 0.0007
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0018 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0067 0.0485
Schistosoma mansoni pyruvate kinase 0.0035 0.002 0.002
Echinococcus granulosus pyruvate kinase 0.0018 0.0006 0.0006
Brugia malayi MH1 domain containing protein 0.0018 0.0006 0.0002
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0009 0.001
Brugia malayi Pre-SET motif family protein 0.0226 0.0177 0.0173
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0067 0.0485
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0007 0.0006
Echinococcus multilocularis pyruvate kinase 0.0018 0.0006 0.0006
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0007 0.0007
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0007 0.0006
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0007 0.0007
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.0177 0.0176
Leishmania major dihydrofolate reductase-thymidylate synthase 0.9688 0.7988 1
Plasmodium vivax pyruvate kinase, putative 0.0035 0.002 0.0018
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0007 0.0007
Echinococcus multilocularis thymidylate synthase 0.3509 0.2888 0.2887
Giardia lamblia Pyruvate kinase 0.0035 0.002 0.2283
Schistosoma mansoni hypothetical protein 0.0034 0.0019 0.0019
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0011 0.0075
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.9688 0.7988 1
Onchocerca volvulus 0.0257 0.0203 0.0654
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Giardia lamblia Kinase, PLK 0.0093 0.0067 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0007 0.0003
Leishmania major phosphatidylinositol kinase related protein, putative 0.0019 0.0007 0.0000038697
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0006 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0007 0.004
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0007 0.0127
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.0007 0.0075
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.3509 0.2888 0.2888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0007 0.0046
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0007 0.0006
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0017 0.0017
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0007 0.0007
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0009 0.0009
Brugia malayi hypothetical protein 0.0019 0.0007 0.0003
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0067 0.0076
Schistosoma mansoni smad1 5 8 and 0.0018 0.0006 0.0006
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.0079 0.0075
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0011 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0018 0.0018
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0027 0.0013 0.0013
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0007 0.0002
Echinococcus granulosus pyruvate kinase 0.0018 0.0006 0.0006
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.3509 0.2888 0.2873
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0073 0.0051 0.0051
Giardia lamblia GTOR 0.0019 0.0007 0.0185
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0006 0.0006
Brugia malayi MH2 domain containing protein 0.0018 0.0006 0.0002
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0009 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0068 0.0064
Loa Loa (eye worm) dihydrofolate reductase 1.2125 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.0023 0.2743
Loa Loa (eye worm) hypothetical protein 0.0024 0.0011 0.001
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0007 0.0046
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.0079 0.0078
Plasmodium falciparum pyruvate kinase 0.0035 0.002 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.002 0.0138
Echinococcus multilocularis pyruvate kinase 0.0018 0.0006 0.0006
Echinococcus granulosus pyruvate kinase 0.0035 0.002 0.002
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0007 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus multilocularis Smad4 0.0018 0.0006 0.0006
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0007 0.0003
Loa Loa (eye worm) MH2 domain-containing protein 0.0263 0.0208 0.0207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0007 0.5
Trichomonas vaginalis set domain proteins, putative 0.0257 0.0203 0.1476
Echinococcus granulosus serine protein kinase ATM 0.0027 0.0013 0.0013
Brugia malayi Importin beta-1 subunit 0.003 0.0016 0.0012
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0007 0.0006
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0007 0.0007
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0007 0.0006
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0006 0.0006
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0007 0.5
Echinococcus granulosus smad 0.0018 0.0006 0.0006
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0011 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0018 0.0018
Leishmania major pyruvate kinase 0.0035 0.002 0.0016
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0019 0.0018
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0007 0.0007
Schistosoma mansoni smad1 5 8 and 0.0018 0.0006 0.0006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0019 0.0015
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.001 0.0004
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0067 0.0485
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0029 0.0203
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0067 0.0485
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0007 0.0003
Toxoplasma gondii exonuclease III APE 0.002 0.0007 0.0008
Trypanosoma brucei pyruvate kinase 1 0.0035 0.002 0.0024
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0007 0.0007
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0007 0.0000038697
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.0007 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.0182 0.0182
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0007 0.0007
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0007 0.0007
Schistosoma mansoni intermediate filament proteins 0.0029 0.0015 0.0015
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.3509 0.2888 0.2882
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0068 0.0067
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0006 0.0006
Echinococcus multilocularis pyruvate kinase 0.0035 0.002 0.002
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0007 0.0003
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0007 0.0005
Loa Loa (eye worm) hypothetical protein 0.003 0.0016 0.0015
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0067 0.0182
Plasmodium vivax importin-beta 2, putative 0.003 0.0016 0.0013
Brugia malayi hypothetical protein 0.0232 0.0182 0.0178
Brugia malayi hypothetical protein 0.0025 0.0011 0.0007
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.9688 0.7988 1
Chlamydia trachomatis dihydrofolate reductase 1.2125 1 1
Onchocerca volvulus 0.3509 0.2888 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0011 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0007 0.0007
Leishmania major GTP-binding protein, putative 0.0022 0.0009 0.0003
Brugia malayi MH2 domain containing protein 0.0018 0.0006 0.0002
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0007 0.0006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0068 0.0067
Onchocerca volvulus 0.0032 0.0018 0.0009
Echinococcus granulosus GPCR family 2 0.0034 0.0019 0.0019
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0007 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Echinococcus granulosus lamin 0.0029 0.0015 0.0015
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0005
Echinococcus granulosus Smad4 0.0018 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0025 0.0011 0.001
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0011 0.0013
Echinococcus granulosus snurportin 1 0.0323 0.0257 0.0257
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0011 0.0075
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1669 0.1369 0.1706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.002 0.0138
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0007 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0007 0.004
Plasmodium vivax SET domain protein, putative 0.0032 0.0018 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0007 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0007 0.0043
Onchocerca volvulus 0.0047 0.003 0.0052
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0068 0.0068
Schistosoma mansoni ran 0.0022 0.0009 0.0009

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test. ChEMBL. 10508435
IC50 (functional) > 100 uM The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test. ChEMBL. 10508435

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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