Detailed information for compound 1247098

Basic information

Technical information
  • TDR Targets ID: 1247098
  • Name: 3-dimethylamino-1-(4-phenylsulfinylphenyl)pro p-2-en-1-one
  • MW: 299.387 | Formula: C17H17NO2S
  • H donors: 1 H acceptors: 2 LogP: 3.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(/C=C/C(=O)c1ccc(cc1)[S+](c1ccccc1)[O-])C
  • InChi: 1S/C17H17NO2S/c1-18(2)13-12-17(19)14-8-10-16(11-9-14)21(20)15-6-4-3-5-7-15/h3-13H,1-2H3/b13-12+
  • InChiKey: UWBIWRHHQPOMFM-OUKQBFOZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-dimethylamino-1-(4-phenylsulfinylphenyl)prop-2-en-1-one
  • SMR000334216
  • 1J-028
  • 3-(dimethylamino)-1-[4-(phenylsulfinyl)phenyl]-2-propen-1-one
  • MLS000720865

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Polycystic kidney disease protein 0.004 0.0031 0.0023
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0085 0.0108 0.0101
Schistosoma mansoni voltage-gated potassium channel 0.0036 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0999 0.1667 0.1664
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0999 0.1667 1
Schistosoma mansoni lipoxygenase 0.0102 0.0139 0.0139
Schistosoma mansoni hypothetical protein 0.017 0.0254 0.0254
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0117 0.0164 0.0156
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0999 0.1667 0.1667
Loa Loa (eye worm) cytochrome P450 0.004 0.0032 0.0028
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0999 0.1667 0.1664
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0999 0.1667 0.1661
Trypanosoma cruzi cytochrome P450, putative 0.0067 0.0077 0.0972
Loa Loa (eye worm) hypothetical protein 0.0027 0.0009 0.0005
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0291 1
Loa Loa (eye worm) voltage-dependent calcium channel 0.0034 0.0022 0.0018
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.5884 1 1
Schistosoma mansoni loxhd1 0.004 0.0031 0.0031
Loa Loa (eye worm) intermediate filament protein 0.0027 0.001 0.0006
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0258 0.4184
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0077 0.0073
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0174 0.026 0.0252
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0117 0.0164 0.0156
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0052 0.0124
Echinococcus multilocularis geminin 0.017 0.0254 0.0246
Echinococcus granulosus sodium and chloride dependent glycine 0.0999 0.1667 0.1661
Loa Loa (eye worm) hypothetical protein 0.0999 0.1667 0.1664
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.0586 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0026 0.0018
Loa Loa (eye worm) hypothetical protein 0.0026 0.0008 0.0004
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0999 0.1667 0.1661
Loa Loa (eye worm) hypothetical protein 0.5884 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0999 0.1667 0.1667
Schistosoma mansoni sodium/chloride dependent transporter 0.0999 0.1667 0.1667
Schistosoma mansoni voltage-gated potassium channel 0.0036 0.0026 0.0026
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0999 0.1667 0.1661
Toxoplasma gondii transporter, cation channel family protein 0.0034 0.0022 0.011
Brugia malayi intermediate filament protein 0.0027 0.001 0.0002
Onchocerca volvulus 0.0999 0.1667 0.1659
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0085 0.0108 0.0101
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0254 0.0246
Onchocerca volvulus 0.0999 0.1667 0.1659
Schistosoma mansoni polycystin 1-related 0.004 0.0031 0.0031
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.007 0.085
Trypanosoma brucei cytochrome P450, putative 0.0067 0.0077 0.0972
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0999 0.1667 0.1661
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0999 0.1667 0.5
Leishmania major cytochrome p450-like protein 0.0067 0.0077 0.0816
Echinococcus multilocularis voltage gated potassium channel 0.0036 0.0026 0.0018
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0999 0.1667 0.1661
Onchocerca volvulus 0.004 0.0031 0.0021
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0031 0.0023
Loa Loa (eye worm) norepinephrine transporter 0.5884 1 1
Loa Loa (eye worm) hypothetical protein 0.0999 0.1667 0.1664
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0052 0.3172
Echinococcus granulosus voltage dependent calcium channel 0.0034 0.0022 0.0015
Loa Loa (eye worm) hypothetical protein 0.0085 0.0108 0.0104
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0052 0.3172
Schistosoma mansoni hypothetical protein 0.0041 0.0034 0.0034
Echinococcus granulosus cytochrome P450 2K1 0.004 0.0032 0.0024
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0085 0.0108 0.0108
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0999 0.1667 0.1667
Plasmodium falciparum amino acid transporter, putative 0.0999 0.1667 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0258 0.4083
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0586 1
Schistosoma mansoni rab6-interacting 0.004 0.0031 0.0031
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.0586 1
Loa Loa (eye worm) calcium channel 0.0085 0.0108 0.0104
Echinococcus multilocularis 0.004 0.0032 0.0024
Loa Loa (eye worm) hypothetical protein 0.0027 0.0009 0.0005
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0999 0.1667 0.1661
Brugia malayi hypothetical protein 0.004 0.0031 0.0023
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0052 0.0285
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0999 0.1667 0.1661
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0089 0.219
Brugia malayi Cytochrome P450 family protein 0.0067 0.0077 0.0069
Brugia malayi Cytochrome P450 family protein 0.0067 0.0077 0.0069
Echinococcus granulosus voltage gated potassium channel 0.0036 0.0026 0.0018
Echinococcus granulosus lamin 0.0027 0.001 0.0002
Schistosoma mansoni lamin 0.0027 0.001 0.001
Mycobacterium ulcerans hypothetical protein 0.0192 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.5884 1 1
Loa Loa (eye worm) doublecortin family protein 0.004 0.0031 0.0027
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0117 0.0164 0.016
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0077 0.0073
Brugia malayi hypothetical protein 0.0999 0.1667 0.1661
Loa Loa (eye worm) hypothetical protein 0.0034 0.0022 0.0018
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0085 0.0108 0.0108
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0089 0.0081
Echinococcus granulosus intermediate filament protein 0.0027 0.001 0.0002
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0999 0.1667 0.1661
Brugia malayi Doublecortin family protein 0.004 0.0031 0.0023
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0026 0.0008 0.0008
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0999 0.1667 1
Brugia malayi Cytochrome P450 family protein 0.004 0.0032 0.0024
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0026 0.0008 0.0004
Onchocerca volvulus 0.0999 0.1667 0.1659
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0089 0.1026
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0031 0.0023
Toxoplasma gondii hypothetical protein 0.0999 0.1667 1
Schistosoma mansoni voltage-gated cation channel 0.0085 0.0108 0.0108
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0089 0.219
Echinococcus granulosus voltage dependent calcium channel 0.0085 0.0108 0.0101
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0027 0.001 0.0006
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0999 0.1667 0.1661
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0008 0.0008
Trypanosoma cruzi cytochrome P450, putative 0.0067 0.0077 0.0972
Echinococcus multilocularis voltage dependent calcium channel 0.0085 0.0108 0.0101
Onchocerca volvulus 0.5884 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0999 0.1667 0.1661
Schistosoma mansoni hypothetical protein 0.004 0.0032 0.0032
Schistosoma mansoni cytochrome P450 0.004 0.0032 0.0032
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0089 0.219
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0999 0.1667 1
Brugia malayi cytochrome P450 0.004 0.0032 0.0024
Schistosoma mansoni lamin 0.0027 0.001 0.001
Echinococcus multilocularis sodium and chloride dependent glycine 0.0999 0.1667 0.1661
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0085 0.0108 0.0101
Loa Loa (eye worm) acetyltransferase 0.0175 0.0262 0.0258
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0044 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0052 0.0044
Echinococcus multilocularis musashi 0.0027 0.001 0.0002
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0999 0.1667 0.1667
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0999 0.1667 0.1664
Echinococcus multilocularis voltage dependent calcium channel 0.0085 0.0108 0.0101
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0085 0.0108 0.0101
Schistosoma mansoni sodium/chloride dependent transporter 0.5884 1 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0085 0.0108 0.0101
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0999 0.1667 0.1661
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0008 0.0008
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0031 0.0023
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.0182 0.0182
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0999 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.004 0.0031 0.0027
Echinococcus granulosus RUN 0.004 0.0031 0.0023
Brugia malayi hypothetical protein 0.004 0.0031 0.0023
Echinococcus granulosus lamin dm0 0.0027 0.001 0.0002
Echinococcus granulosus sodium and chloride dependent glycine 0.0999 0.1667 0.1661
Toxoplasma gondii hypothetical protein 0.0059 0.0064 0.0361
Echinococcus multilocularis lamin dm0 0.0027 0.001 0.0002
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0085 0.0108 0.0101
Mycobacterium leprae Conserved hypothetical protein 0.004 0.0032 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0051 0.0511
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.004 0.0032 0.017
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0034 0.0026
Echinococcus granulosus serotonin transporter 0.5884 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0174 0.026 0.0252
Loa Loa (eye worm) hypothetical protein 0.0102 0.0138 0.0134
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0999 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.004 0.0031 0.0027
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0586 1
Mycobacterium leprae putative cytochrome p450 0.004 0.0032 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 0.001 0.001
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0089 0.0089
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0066 0.0059
Trypanosoma cruzi cytochrome p450-like protein, putative 0.004 0.0032 0.017
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0085 0.0108 0.0101
Schistosoma mansoni sodium/chloride dependent transporter 0.0999 0.1667 0.1667
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0999 0.1667 0.1667
Echinococcus multilocularis Polycystic kidney disease protein 0.004 0.0031 0.0023
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.0182 0.0182
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.001 0.0002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0089 0.219
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0066 0.0062
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0999 0.1667 0.1664
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0999 0.1667 0.1664
Plasmodium falciparum transporter, putative 0.0999 0.1667 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0085 0.0108 0.0101
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0026 0.0018
Brugia malayi Cytochrome P450 family protein 0.0117 0.0164 0.0156
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0031 0.0023
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.004 0.0032 0.017
Onchocerca volvulus 0.004 0.0031 0.0021
Loa Loa (eye worm) serotonin transporter b 0.5884 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.004 0.0031 0.0031
Toxoplasma gondii cytochrome p450 superfamily protein 0.004 0.0032 0.0168
Plasmodium vivax hypothetical protein, conserved 0.0999 0.1667 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0258 0.4184
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0117 0.0164 0.0156
Schistosoma mansoni hypothetical protein 0.017 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0999 0.1667 0.1664
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0066 0.0059
Loa Loa (eye worm) hypothetical protein 0.5884 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0066 0.0062
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0051 0.0511
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0262 0.0255
Schistosoma mansoni lipoxygenase 0.0174 0.026 0.026
Schistosoma mansoni rab6-interacting 0.004 0.0031 0.0031
Plasmodium vivax amine transporter, putative 0.0999 0.1667 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0051 0.0511
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0089 0.0089
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0107 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0034 0.003
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0999 0.1667 0.1661
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0262 0.0262
Loa Loa (eye worm) cytochrome P450 family protein 0.0117 0.0164 0.016
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0067 0.0077 0.1743
Loa Loa (eye worm) CYP4Cod1 0.0067 0.0077 0.0073
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0026 0.0008 0.0008
Schistosoma mansoni sodium-dependent amino acid transporter 0.0999 0.1667 0.1667
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.004 0.0032 0.017
Loa Loa (eye worm) hypothetical protein 0.0999 0.1667 0.1664
Toxoplasma gondii hypothetical protein 0.0999 0.1667 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0052 0.0285
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0036 0.0026 0.0018
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0089 0.0081
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0044 0.008
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0999 0.1667 0.1667
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0089 0.0509
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0051 0.0511
Treponema pallidum sodium- and chloride- dependent transporter 0.5884 1 0.5
Echinococcus granulosus geminin 0.017 0.0254 0.0246
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0026 0.0008 0.0004
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0107 0.0146 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0262 0.0255
Loa Loa (eye worm) solute carrier family 6 member 4 0.5884 1 1
Echinococcus multilocularis RUN 0.004 0.0031 0.0023
Echinococcus multilocularis serotonin transporter 0.5884 1 1
Echinococcus multilocularis lamin 0.0027 0.001 0.0002
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0044 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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