Detailed information for compound 1451906

Basic information

Technical information
  • TDR Targets ID: 1451906
  • Name: 1-[4-[(6-methoxypyridin-3-yl)amino]-3-nitroph enyl]-3-methylpyrrolidine-2,5-dione
  • MW: 356.333 | Formula: C17H16N4O5
  • H donors: 1 H acceptors: 5 LogP: 2.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cn1)Nc1ccc(cc1[N+](=O)[O-])N1C(=O)CC(C1=O)C
  • InChi: 1S/C17H16N4O5/c1-10-7-16(22)20(17(10)23)12-4-5-13(14(8-12)21(24)25)19-11-3-6-15(26-2)18-9-11/h3-6,8-10,19H,7H2,1-2H3
  • InChiKey: ZRMVNLJKNLXYKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-[(6-methoxy-3-pyridyl)amino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione
  • 1-[4-[(6-methoxy-3-pyridyl)amino]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione
  • 1-[4-[(6-methoxy-3-pyridyl)amino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-quinone
  • 1-[4-[(6-methoxypyridin-3-yl)amino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione
  • 1-{4-[(6-methoxypyridin-3-yl)amino]-3-nitrophenyl}-3-methylpyrrolidine-2,5-dione
  • MLS000682598
  • SMR000311955

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Neospora caninum hypothetical protein 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi exodeoxyribonuclease III family protein 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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 japonicum ko:K10772 AP endonuclease 2, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Echinococcus granulosus tar DNA binding protein 0.0258 0.2917 0.2903
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0019 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0052 0.0383 0.4065
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0324 0.0692
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0058 0.0039
Schistosoma mansoni smad1 5 8 and 0.0026 0.0058 0.0039
Toxoplasma gondii type I fatty acid synthase, putative 0.0056 0.0423 0.5872
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0707 1
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0128 0.1583
Brugia malayi RNA binding protein 0.0258 0.2917 0.6587
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0324 0.0305
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Onchocerca volvulus 0.0058 0.0457 0.2071
Brugia malayi MH1 domain containing protein 0.0026 0.0058 0.0089
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0058 0.0039
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0707 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0324 0.0305
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0078 0.0702 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3256 0.3243
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2917 0.2903
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0056 0.0423 0.481
Schistosoma mansoni hypothetical protein 0.0058 0.0457 0.0438
Schistosoma mansoni hypothetical protein 0.0102 0.1001 0.0984
Loa Loa (eye worm) hypothetical protein 0.0286 0.3256 0.7357
Mycobacterium ulcerans Type I modular polyketide synthase 0.0052 0.0383 0.5335
Mycobacterium ulcerans thioesterase 0.0044 0.0276 0.3763
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0052 0.0383 0.4065
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0128 0.0109
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2917 0.2903
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0026 0.0065 0.0664
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0128 0.1583
Brugia malayi TAR-binding protein 0.0258 0.2917 0.6587
Brugia malayi hypothetical protein 0.0079 0.0707 0.1564
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0058 0.0039
Trypanosoma brucei PAB1-binding protein , putative 0.0079 0.0707 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0174 0.0155
Loa Loa (eye worm) acyl carrier protein 0.0024 0.0036 0.0037
Schistosoma mansoni hypothetical protein 0.0205 0.2259 0.2244
Schistosoma mansoni hypothetical protein 0.0205 0.2259 0.2244
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0058 0.0039
Echinococcus granulosus muscleblind protein 0.018 0.1961 0.1945
Schistosoma mansoni smad 0.0026 0.0058 0.0039
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0128 0.1583
Schistosoma mansoni smad1 5 8 and 0.0026 0.0058 0.0039
Brugia malayi hypothetical protein 0.0286 0.3256 0.7357
Loa Loa (eye worm) hypothetical protein 0.0047 0.0324 0.0692
Plasmodium vivax ataxin-2 like protein, putative 0.0079 0.0707 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0049 0.0341 0.4861
Loa Loa (eye worm) transcription factor SMAD2 0.038 0.4418 1
Toxoplasma gondii LsmAD domain-containing protein 0.0079 0.0707 1
Loa Loa (eye worm) RNA binding protein 0.0258 0.2917 0.6587
Leishmania major hypothetical protein, conserved 0.0079 0.0707 1
Mycobacterium ulcerans polyketide synthase 0.0056 0.0423 0.5921
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0051 0.0364 0.5182
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0052 0.0383 0.5335
Schistosoma mansoni hypothetical protein 0.0047 0.0324 0.0305
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0056 0.0423 0.5921
Loa Loa (eye worm) hypothetical protein 0.0088 0.0821 0.1822
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0324 0.0305
Schistosoma mansoni hypothetical protein 0.0047 0.0324 0.0305
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0051 0.0364 0.5182
Schistosoma mansoni Smad4 0.0026 0.0058 0.0039
Mycobacterium ulcerans polyketide synthase Pks13 0.0078 0.0702 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0707 0.1564
Mycobacterium ulcerans polyketide synthase 0.0052 0.0383 0.5335
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0128 0.1583
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0099 0.096 0.2138
Loa Loa (eye worm) hypothetical protein 0.0029 0.01 0.0184
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.1585 0.3559
Echinococcus multilocularis GPCR, family 2 0.0047 0.0324 0.0305
Brugia malayi MH1 domain containing protein 0.0026 0.0058 0.0089
Toxoplasma gondii type I fatty acid synthase, putative 0.0037 0.0198 0.2595
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0019 0.5
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0341 0.0731
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0056 0.0423 0.6033
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0324 0.0305
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0128 0.0109
Schistosoma mansoni hypothetical protein 0.0047 0.0324 0.0305
Mycobacterium ulcerans Type I modular polyketide synthase 0.0052 0.0383 0.5335
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0128 0.0109
Echinococcus multilocularis smad 0.0026 0.0058 0.0039
Echinococcus granulosus Smad4 0.0026 0.0058 0.0039
Brugia malayi MH2 domain containing protein 0.0026 0.0058 0.0089
Echinococcus multilocularis muscleblind protein 0.018 0.1961 0.1945
Echinococcus granulosus GPCR family 2 0.0047 0.0324 0.0305
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0042 0.0258 0.3492
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0324 0.0692
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0019 0.0275
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0058 0.0039
Loa Loa (eye worm) TAR-binding protein 0.0258 0.2917 0.6587
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0078 0.0702 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0707 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.003 0.0106 0.1505
Brugia malayi hypothetical protein 0.0051 0.0364 0.0785
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3256 0.3243
Loa Loa (eye worm) fatty acid synthase 0.0052 0.0375 0.0808
Echinococcus granulosus geminin 0.0205 0.2259 0.2244
Echinococcus multilocularis geminin 0.0205 0.2259 0.2244
Brugia malayi MH2 domain containing protein 0.0026 0.0058 0.0089
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0258 0.2917 0.6587
Loa Loa (eye worm) hypothetical protein 0.018 0.1961 0.4413
Mycobacterium ulcerans Type I modular polyketide synthase 0.0052 0.0383 0.5335
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0044 0.0276 0.2064
Schistosoma mansoni smad1 5 8 and 0.0026 0.0058 0.0039
Mycobacterium leprae Polyketide synthase Pks13 0.0078 0.0702 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0044 0.0276 0.3934
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0324 0.0692
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0128 0.0109
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0019 0.5
Brugia malayi MH2 domain containing protein 0.038 0.4418 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0056 0.0423 0.481
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0019 0.5
Mycobacterium leprae Probable polyketide synthase Pks1 0.0056 0.0423 0.481
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0058 0.0089
Onchocerca volvulus Fatty acid synthase homolog 0.0094 0.09 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0019 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0258 0.2917 0.6587
Brugia malayi Smad1 0.0026 0.0058 0.0089
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0052 0.0383 0.5463
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0052 0.0383 0.5463
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0056 0.0423 0.6033
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0128 0.0109
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0457 0.0995
Echinococcus multilocularis Smad4 0.0026 0.0058 0.0039
Brugia malayi isocitrate dehydrogenase 0.0032 0.0128 0.0248
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0128 0.1583
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0128 0.1583
Loa Loa (eye worm) hypothetical protein 0.018 0.1961 0.4413
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0042 0.0258 0.172
Loa Loa (eye worm) Smad1 0.0026 0.0058 0.0089
Onchocerca volvulus 0.0091 0.086 0.9285
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0128 0.0109
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.1585 0.3559
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2917 0.2903
Loa Loa (eye worm) MH2 domain-containing protein 0.038 0.4418 1
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2917 0.2903
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.1585 0.3559
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0052 0.0383 0.5463
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0128 0.1583
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0128 0.0248
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0128 0.0248
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0052 0.0383 0.0828
Schistosoma mansoni survival motor neuron protein 0.0058 0.0457 0.0438
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0056 0.0423 0.5921
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0042 0.0258 0.3492
Echinococcus granulosus smad 0.0026 0.0058 0.0039
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0174 0.0155
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0019 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0035 0.0165 0.214
Loa Loa (eye worm) hypothetical protein 0.015 0.1585 0.3559
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0049 0.0341 0.0731
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0056 0.0423 0.6033
Brugia malayi Muscleblind-like protein 0.018 0.1961 0.4413
Schistosoma mansoni hypothetical protein 0.0047 0.0324 0.0305
Mycobacterium ulcerans polyketide synthase Pks9 0.0035 0.0165 0.214
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0128 0.1583
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.1001 0.2232
Echinococcus multilocularis tar DNA binding protein 0.0258 0.2917 0.2903
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0128 0.1583
Schistosoma mansoni hypothetical protein 0.0035 0.0174 0.0155
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0707 1
Mycobacterium ulcerans thioesterase TesA 0.0044 0.0276 0.3763
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0038 0.0202 0.288
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0128 0.1827
Loa Loa (eye worm) hypothetical protein 0.0102 0.1001 0.2232
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0128 0.0109
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0058 0.0089
Echinococcus multilocularis muscleblind protein 1 0.018 0.1961 0.1945
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0043 0.0266 0.3792
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0034 0.0157 0.2005
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2917 0.2903

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 48.38 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.004 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1778 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 9.2 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) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 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 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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