Detailed information for compound 1377984

Basic information

Technical information
  • TDR Targets ID: 1377984
  • Name: N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N -(3-methylphenyl)acetamide
  • MW: 340.396 | Formula: C18H16N2O3S
  • H donors: 0 H acceptors: 3 LogP: 3.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N(C1SC(=O)N(C1=O)c1ccccc1)C(=O)C
  • InChi: 1S/C18H16N2O3S/c1-12-7-6-10-15(11-12)19(13(2)21)17-16(22)20(18(23)24-17)14-8-4-3-5-9-14/h3-11,17H,1-2H3
  • InChiKey: NELKCNYFCQOAKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-dioxo-3-phenyl-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
  • N-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(3-methylphenyl)acetamide
  • N-(2,4-diketo-3-phenyl-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
  • N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)ethanamide
  • MLS000077039
  • N-(2,4-Dioxo-3-phenyl-thiazolidin-5-yl)-N-m-tolyl-acetamide
  • SMR000009688
  • Oprea1_014717
  • Oprea1_406008
  • AG-690/33083006

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum hypothetical protein 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox 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
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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
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 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) acetylcholinesterase 1 0.2884 1 1
Mycobacterium ulcerans pyruvate kinase 0.004 0.0061 0.0378
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0336 0.1094 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0487 0.1624 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0061 0.0378
Onchocerca volvulus 0.0487 0.1624 1
Brugia malayi hypothetical protein 0.003 0.0027 0.0027
Loa Loa (eye worm) pyruvate kinase 0.004 0.0061 0.0061
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0177 0.1089
Entamoeba histolytica hypothetical protein 0.0096 0.0255 0.2326
Echinococcus granulosus glutamate NMDA receptor subunit 0.0094 0.0247 0.0247
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0047 0.0084 0.0084
Echinococcus multilocularis glutamate receptor 2 0.0039 0.0058 0.0058
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0019 0.0172
Loa Loa (eye worm) hypothetical protein 0.0487 0.1624 0.1624
Schistosoma mansoni glutamate receptor NMDA 0.0124 0.0355 0.0355
Echinococcus multilocularis pyruvate kinase 0.004 0.0061 0.0061
Brugia malayi Carboxylesterase family protein 0.0487 0.1624 0.1624
Trypanosoma brucei pyruvate kinase 1 0.004 0.0061 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0114 0.0114
Onchocerca volvulus 0.0487 0.1624 1
Loa Loa (eye worm) hypothetical protein 0.2884 1 1
Schistosoma mansoni amine GPCR 0.0177 0.054 0.054
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0027 0.4398
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0027 0.4398
Echinococcus multilocularis para nitrobenzyl esterase 0.0487 0.1624 0.1624
Echinococcus granulosus acetylcholinesterase 0.2884 1 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0094 0.0247 0.0247
Echinococcus granulosus BC026374 protein S09 family 0.0487 0.1624 0.1624
Echinococcus multilocularis glutamate receptor 2 0.0047 0.0084 0.0084
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0487 0.1624 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0487 0.1624 0.1624
Loa Loa (eye worm) hypothetical protein 0.0487 0.1624 0.1624
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0096 0.0255 0.2326
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0177 0.1089
Echinococcus granulosus glutamate receptor 2 0.0032 0.0033 0.0033
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0058 0.0058
Brugia malayi Carboxylesterase family protein 0.0487 0.1624 0.1624
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0487 0.1624 0.1624
Schistosoma mansoni ATP-binding cassette transporter 0.0039 0.0058 0.0058
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0019 0.0019
Mycobacterium ulcerans carboxylesterase, LipT 0.0487 0.1624 1
Loa Loa (eye worm) carboxylesterase 0.2884 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0047 0.0084 0.0084
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0487 0.1624 1
Echinococcus multilocularis glutamate receptor 2 0.0032 0.0033 0.0033
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0061 0.0061
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2884 1 1
Echinococcus multilocularis neuroligin 0.0487 0.1624 0.1624
Brugia malayi Carboxylesterase family protein 0.0487 0.1624 0.1624
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0058 0.0058
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0324 0.0324
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0047 0.0084 0.0084
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0061 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2833 0.2833
Giardia lamblia Pyruvate kinase 0.004 0.0061 0.0561
Leishmania major pyruvate kinase 0.004 0.0061 0.3472
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0047 0.0084 0.0084
Brugia malayi Carboxylesterase family protein 0.0487 0.1624 0.1624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0114 0.0114
Loa Loa (eye worm) carboxylesterase 0.0487 0.1624 0.1624
Schistosoma mansoni neuroligin 3 (S09 family) 0.0487 0.1624 0.1624
Echinococcus granulosus neuroligin 0.0487 0.1624 0.1624
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0061 0.0378
Schistosoma mansoni gliotactin 0.0487 0.1624 0.1624
Brugia malayi MH2 domain containing protein 0.0115 0.0324 0.0324
Echinococcus multilocularis pyruvate kinase 0.004 0.0061 0.0061
Schistosoma mansoni acetylcholinesterase 0.0487 0.1624 0.1624
Loa Loa (eye worm) hypothetical protein 0.2884 1 1
Chlamydia trachomatis pyruvate kinase 0.004 0.0061 0.5
Echinococcus granulosus carboxylesterase 5A 0.2884 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0487 0.1624 0.1624
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0487 0.1624 0.1624
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2833 0.2833
Schistosoma mansoni glutamate receptor NMDA 0.0094 0.0247 0.0247
Echinococcus multilocularis acetylcholinesterase 0.2884 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0027 0.4398
Echinococcus multilocularis nmda type glutamate receptor 0.0085 0.0217 0.0217
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0177 0.0177
Echinococcus granulosus pyruvate kinase 0.004 0.0061 0.0061
Echinococcus multilocularis glutamate receptor NMDA 0.0077 0.0191 0.0191
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0058 0.0058
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0177 0.0177
Echinococcus multilocularis BC026374 protein (S09 family) 0.0487 0.1624 0.1624
Loa Loa (eye worm) hypothetical protein 0.0487 0.1624 0.1624
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0114 0.0114
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0058 0.0058
Echinococcus multilocularis pyruvate kinase 0.0032 0.0032 0.0032
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0061 0.0061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0114 0.0114
Onchocerca volvulus 0.0487 0.1624 1
Brugia malayi Glutamate receptor 2 precursor 0.0039 0.0058 0.0058
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0177 0.1089
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0027 0.4398
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0114 0.0114
Echinococcus multilocularis acetylcholinesterase 0.2884 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0487 0.1624 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0177 1
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0058 0.0058
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0487 0.1624 0.1624
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0047 0.0084 0.0084
Schistosoma mansoni pyruvate kinase 0.004 0.0061 0.0061
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0114 0.0114
Echinococcus granulosus pyruvate kinase 0.004 0.0061 0.0061
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0027 0.4398
Loa Loa (eye worm) pyruvate kinase 0.004 0.0061 0.0061
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0487 0.1624 0.1624
Brugia malayi Carboxylesterase family protein 0.2884 1 1
Echinococcus multilocularis carboxylesterase 5A 0.2884 1 1
Echinococcus granulosus glutamate receptor NMDA 0.0077 0.0191 0.0191
Loa Loa (eye worm) carboxylesterase 0.0487 0.1624 0.1624
Plasmodium falciparum pyruvate kinase 0.004 0.0061 1
Leishmania major pyruvate kinase 0.004 0.0061 0.3472
Loa Loa (eye worm) hypothetical protein 0.0028 0.0019 0.0019
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0487 0.1624 0.1624
Loa Loa (eye worm) hypothetical protein 0.004 0.0061 0.0061
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0047 0.0084 0.0084
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0061 0.0378
Giardia lamblia DNA repair protein RAD52 0.0336 0.1094 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0177 0.0177
Echinococcus granulosus nmda type glutamate receptor 0.0092 0.0242 0.0242
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2833 0.2833
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0177 1
Brugia malayi hypothetical protein 0.0487 0.1624 0.1624
Echinococcus granulosus glutamate receptor 2 0.0047 0.0084 0.0084
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0177 0.0177
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0177 0.1089
Plasmodium vivax pyruvate kinase, putative 0.004 0.0061 1
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0324 0.0324
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0061 0.3472
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0061 1
Onchocerca volvulus 0.0487 0.1624 1
Leishmania major hypothetical protein, conserved 0.003 0.0027 0.1527
Schistosoma mansoni pyruvate kinase 0.004 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0487 0.1624 0.1624
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0061 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0092 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0487 0.1624 0.1624
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0027 0.4398
Loa Loa (eye worm) pyruvate kinase 0.004 0.0061 0.0061
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0027 0.1527
Onchocerca volvulus 0.0487 0.1624 1
Echinococcus granulosus nmda type glutamate receptor 0.0085 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.003 0.0027 0.0027
Echinococcus granulosus acetylcholinesterase 0.2884 1 1
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0061 1
Brugia malayi follicle stimulating hormone receptor 0.0242 0.0768 0.0768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0114 0.0114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0487 0.1624 0.1624
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0047 0.0084 0.0084
Loa Loa (eye worm) glutamate receptor 2 0.0039 0.0058 0.0058
Mycobacterium tuberculosis Carboxylesterase LipT 0.0487 0.1624 1
Loa Loa (eye worm) glutamate receptor 1 0.0039 0.0058 0.0058
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0047 0.0084 0.0084
Echinococcus granulosus para nitrobenzyl esterase 0.0487 0.1624 0.1624
Brugia malayi Glutamate receptor 1 precursor 0.0039 0.0058 0.0058
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.0768 0.0768

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30.764 uM PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of IMP-1metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 54.293 uM PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.64 uM PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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 (binding) = 15.8489 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) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.