Detailed information for compound 1710482

Basic information

Technical information
  • TDR Targets ID: 1710482
  • Name: (Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-( 3-nitrophenyl)prop-2-enoic acid
  • MW: 384.383 | Formula: C20H20N2O6
  • H donors: 2 H acceptors: 5 LogP: 4.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COc1ccc(cc1)C(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)O)C
  • InChi: 1S/C20H20N2O6/c1-13(2)12-28-17-8-6-15(7-9-17)19(23)21-18(20(24)25)11-14-4-3-5-16(10-14)22(26)27/h3-11,13H,12H2,1-2H3,(H,21,23)(H,24,25)/b18-11-
  • InChiKey: FFYWPJOLJWMFKQ-WQRHYEAKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-2-[(4-isobutoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoic acid
  • (Z)-2-[[(4-isobutoxyphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)prop-2-enoic acid
  • (Z)-2-[(4-isobutoxybenzoyl)amino]-3-(3-nitrophenyl)acrylic acid
  • (Z)-2-[[4-(2-methylpropoxy)phenyl]carbonylamino]-3-(3-nitrophenyl)prop-2-enoic acid
  • (Z)-2-(4-Isobutoxy-benzoylamino)-3-(3-nitro-phenyl)-acrylic acid
  • MLS000776758
  • STOCK1S-57786
  • SMR000413157

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii exonuclease III APE 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
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Theileria parva hypothetical 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
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
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
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
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium falciparum 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Entamoeba histolytica exodeoxyribonuclease III, 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0767 0.212
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.301 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.2747 0.2145
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0702 0.3424
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.1192 0.581
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0767 0.212
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1785 0.454
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0052 0.0251
Mycobacterium ulcerans thioesterase 0.0025 0.0902 0.4398
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.301 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.1138 0.5551
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0767 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.301 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.1077 0.5254
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.173 1
Trypanosoma brucei protein kinase, putative 0.0062 0.301 1
Mycobacterium ulcerans polyketide synthase 0.003 0.1192 0.581
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0691 0.1854
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.301 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.301 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.301 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.301 1
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.2586 0.1691
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.13 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.1192 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.13 0.6337
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0767 0.0527
Brugia malayi MAP kinase sur-1 0.0062 0.301 0.243
Trichomonas vaginalis rotamase, putative 0.0039 0.173 0.4295
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.13 0.6337
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.301 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0428 0.0179
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0902 0.4398
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.173 0.5505
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.2051 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.301 0.2829
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.173 0.5505
Brugia malayi AMP-binding enzyme family protein 0.0028 0.1077 0.0337
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.13 0.6337
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.1192 0.046
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.0603 0.2941
Echinococcus multilocularis expressed protein 0.004 0.1785 0.454
Schistosoma mansoni rotamase 0.004 0.1785 0.454
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.1192 0.581
Mycobacterium ulcerans polyketide synthase 0.0032 0.13 0.6337
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.301 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0442 0.2155
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.301 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.13 0.6337
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.0603 0.2941
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0767 0.5
Echinococcus granulosus expressed protein 0.004 0.1785 0.454
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0902 0.4398
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.1077 0.0846
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.301 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.13 0.6337
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0852 0.4155
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0157 0.0765
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.1192 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.1192 0.581
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0852 0.4155
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0767 0.3739
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.301 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.173 0.5505
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.0332 0.0595
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.13 0.6337
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.13 0.6337
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.1138 0.5551
Onchocerca volvulus 0.0052 0.2478 0.157
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.1785 0.1103
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.301 1
Onchocerca volvulus 0.0182 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.301 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0875 0.4267
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.2051 1
Trichomonas vaginalis rotamase, putative 0.004 0.1785 0.454
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.301 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1192 0.581
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.173 0.5505
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0767 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0767 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.13 0.3991
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.1785 0.1572
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.0603 0.2941
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0767 0.3739
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.173 0.5505
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1192 0.581
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0902 0.4398
Loa Loa (eye worm) hypothetical protein 0.0051 0.2373 0.2175
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.301 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0767 0.212
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.1192 0.581
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1192 0.581
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0581 0.1469
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0767 0.212
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.2051 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.301 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0852 0.4155
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.301 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0767 0.212
Loa Loa (eye worm) fatty acid synthase 0.003 0.1168 0.0939
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.2051 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 8.63 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 9.1 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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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