Detailed information for compound 1234195

Basic information

Technical information
  • TDR Targets ID: 1234195
  • Name: [3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofur an-6-yl] methanesulfonate
  • MW: 317.317 | Formula: C15H11NO5S
  • H donors: 0 H acceptors: 4 LogP: 2.07 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2)OS(=O)(=O)C
  • InChi: 1S/C15H11NO5S/c1-22(18,19)21-11-4-5-12-13(8-11)20-14(15(12)17)7-10-3-2-6-16-9-10/h2-9H,1H3/b14-7-
  • InChiKey: DISKNMZYPHNWTQ-AUWJEWJLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] methanesulfonate
  • [3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] methanesulfonate
  • [(2Z)-3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] methanesulfonate
  • methanesulfonic acid [3-oxo-2-(3-pyridylmethylene)-6-benzofuranyl] ester
  • methanesulfonic acid [(2Z)-3-oxo-2-(3-pyridylmethylene)-6-benzofuranyl] ester
  • methanesulfonic acid [(2Z)-3-keto-2-(3-pyridylmethylene)benzofuran-6-yl] ester
  • methanesulfonic acid [3-keto-2-(3-pyridylmethylene)benzofuran-6-yl] ester
  • ZINC05164032
  • MLS000333662
  • Methanesulfonic acid 3-oxo-2-[1-pyridin-3-yl-meth-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester
  • SMR000437874

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, 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
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva histone acetyltransferase Gcn5, putative 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
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 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 braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) proprotein convertase 2 0.0072 0.055 0.1845
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1622 0.5447
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0059 0.0414 0.239
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0079 0.0386
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0335 0.3746
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0105 0.0894 1
Trypanosoma brucei RNA helicase, putative 0.0216 0.2048 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.029 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0079 0.0265
Loa Loa (eye worm) endoprotease bli-4 0.0305 0.2978 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0563 0.1889
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0072 0.055 0.3175
Schistosoma mansoni furin-1 (S08 family) 0.0133 0.1182 0.3968
Brugia malayi neuroendocrine convertase 1 precursor 0.0192 0.1796 0.6033
Trichomonas vaginalis hypothetical protein 0.0059 0.0414 0.239
Mycobacterium leprae Probable exported protease 0.0019 0 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0079 0.0386
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0072 0.055 0.1845
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0563 0.7974
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0079 0.0883
Echinococcus granulosus geminin 0.0205 0.193 0.6483
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0035 0.0119
Giardia lamblia High cysteine membrane protein Group 2 0.0113 0.098 1
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.0019 0 0.5
Leishmania major S-adenosylmethionine decarboxylase 0.0216 0.2048 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0185 0.1731 0.1731
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0335 0.1935
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Leishmania major hypothetical protein, conserved 0.0027 0.0079 0.0386
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0072 0.055 0.3175
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0019 0 0.5
Toxoplasma gondii exonuclease III APE 0.0023 0.0035 0.0501
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0035 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0563 0.1889
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0335 0.1935
Brugia malayi celfurPC protein 0.0246 0.2363 0.7935
Schistosoma mansoni hypothetical protein 0.0216 0.2048 0.6877
Schistosoma mansoni ap endonuclease 0.0023 0.0035 0.0119
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.029 0.3246
Brugia malayi proprotein convertase 2 0.0192 0.1796 0.6033
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0035 0.0035
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0563 0.0563
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0059 0.0414 0.239
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Loa Loa (eye worm) hypothetical protein 0.0254 0.2441 0.8198
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0335 0.1125
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0035 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0335 0.4747
Loa Loa (eye worm) acetyltransferase 0.0175 0.1622 0.5447
Echinococcus multilocularis 0.0246 0.2363 0.2363
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0035 0.0395
Onchocerca volvulus Lipase homolog 0.0019 0 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0254 0.2447 0.8218
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0079 0.0386
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0035 0.0172
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0035 0.5
Toxoplasma gondii hypothetical protein 0.0087 0.0706 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Schistosoma mansoni hypothetical protein 0.0205 0.193 0.6483
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0035 0.5
Brugia malayi hypothetical protein 0.0027 0.0079 0.0265
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0185 0.1731 0.5813
Loa Loa (eye worm) hypothetical protein 0.012 0.1046 0.3512
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0059 0.0414 0.239
Onchocerca volvulus Epoxide hydrolase 1 homolog 0.0019 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0216 0.2048 0.6877
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0216 0.2048 0.9999
Mycobacterium leprae Probable homoserine o-acetyltransferase MetA 0.0019 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.193 0.6483
Brugia malayi Nuclear hormone receptor-like 1 0.0254 0.2447 0.8218
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0335 0.4747
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0105 0.0894 1
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0216 0.2048 0.9999
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0035 0.0204
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0035 0.0119
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0035 0.0172
Brugia malayi Nuclear hormone receptor-like 1 0.0259 0.2499 0.8392
Mycobacterium ulcerans epoxide hydrolase EphA 0.0704 0.713 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0305 0.2978 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0563 0.0789
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0216 0.2048 0.6877
Mycobacterium leprae Probable exported protease 0.0019 0 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0035 0.0395
Brugia malayi Nuclear hormone receptor-like 1 0.0254 0.2447 0.8218
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0079 0.0883
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0079 0.0883
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0563 0.1889
Brugia malayi endoprotease bli-4 precursor 0.0305 0.2978 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0185 0.1731 1
Echinococcus granulosus amiloride sensitive amine oxidase 0.0172 0.1594 0.5353
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Echinococcus granulosus furin 0.0305 0.2978 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0185 0.1731 1
Giardia lamblia Furin precursor putative serine protease 0.0059 0.0414 0.4221
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0216 0.2048 1
Echinococcus multilocularis amiloride sensitive amine oxidase 0.0172 0.1594 0.1594
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0563 0.2747
Echinococcus granulosus neuroendocrine convertase 2 0.0192 0.1796 0.6033
Schistosoma mansoni hypothetical protein 0.0059 0.0414 0.1389
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0035 0.0172
Echinococcus multilocularis geminin 0.0205 0.193 0.193
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0035 0.0172
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.029 0.2962
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Schistosoma mansoni hypothetical protein 0.0172 0.1594 0.5353
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0035 0.0119
Echinococcus multilocularis Furin 1 0.0072 0.055 0.055
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0414 0.239
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0035 0.036
Echinococcus multilocularis neuroendocrine convertase 2 0.0192 0.1796 0.1796
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0079 0.1119
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0035 0.0204
Onchocerca volvulus Lipase homolog 0.0019 0 0.5
Mycobacterium leprae POSSIBLE SECRETED PROTEASE 0.0019 0 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.0035 0.0119
Loa Loa (eye worm) hypothetical protein 0.0305 0.2978 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0563 0.0789
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0072 0.055 0.3175
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0563 0.0789
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0035 0.1217
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0072 0.055 0.3175
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0072 0.055 0.3175
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0216 0.2048 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1571 0.5276
Schistosoma mansoni copper/topaquinone oxidase 0.0172 0.1594 0.5353
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0216 0.2048 0.6877
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0072 0.055 0.3175
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1622 0.1622
Echinococcus granulosus Furin 1 0.0072 0.055 0.1845
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1622 0.5447
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0216 0.2048 0.2048
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0216 0.2048 0.9999
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0563 0.0789
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0704 0.713 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 0.1472 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5104 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 11.2202 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) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 2238.7211 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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