Detailed information for compound 1365739

Basic information

Technical information
  • TDR Targets ID: 1365739
  • Name: (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[ (3,4-dimethoxyphenyl)methyl]prop-2-enamide
  • MW: 408.353 | Formula: C19H18F2N2O6
  • H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNC(=O)/C=C/c2cc(ccc2OC(F)F)[N+](=O)[O-])ccc1OC
  • InChi: 1S/C19H18F2N2O6/c1-27-16-6-3-12(9-17(16)28-2)11-22-18(24)8-4-13-10-14(23(25)26)5-7-15(13)29-19(20)21/h3-10,19H,11H2,1-2H3,(H,22,24)/b8-4+
  • InChiKey: CZSHUCICKLJSOJ-XBXARRHUSA-N  

Network

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Synonyms

  • 3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide
  • 3-[2-(difluoromethoxy)-5-nitro-phenyl]-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide
  • (E)-3-[2-(difluoromethoxy)-5-nitro-phenyl]-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide
  • 3-[2-(difluoromethoxy)-5-nitro-phenyl]-N-(3,4-dimethoxybenzyl)acrylamide
  • (E)-3-[2-(difluoromethoxy)-5-nitro-phenyl]-N-(3,4-dimethoxybenzyl)acrylamide
  • T0504-3668
  • MLS000565345
  • SMR000152648
  • ZINC03197077

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier 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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 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
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 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 leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 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 tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 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
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 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
Mycobacterium leprae 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 PpsB 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 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 ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 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 ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 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 tuberculosis Polyketide synthase Pks12 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
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 leprae Probable polyketide synthase Pks1 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
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase 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
Onchocerca volvulus Fatty acid synthase homolog 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
Mycobacterium tuberculosis Probable polyketide synthase Pks9 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
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 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
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 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 tuberculosis Probable polyketide synthase Pks1 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
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 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
Brugia malayi steroid hormone receptor 0.0057 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4307 0.581
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4114 0.5551
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4307 0.581
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 1 1
Brugia malayi nuclear receptor RXR 0.003 0.4353 0.1071
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3894 0.3279
Loa Loa (eye worm) hypothetical protein 0.003 0.4353 0.3784
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.326 0.4398
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.4353 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 1 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4307 0.0998
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4114 0.5551
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7412 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4353 0.3784
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Loa Loa (eye worm) nuclear hormone receptor 0.0027 0.3675 0.3038
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.4697 0.6337
Mycobacterium ulcerans polyketide synthase 0.0032 0.4697 0.6337
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.4353 0.1071
Onchocerca volvulus 0.0052 0.8956 0.835
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.308 0.4155
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.4353 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 1 1
Loa Loa (eye worm) fatty acid synthase 0.003 0.4223 0.3641
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.218 0.2941
Schistosoma mansoni RAR-like nuclear receptor 0.0057 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.4353 0.1071
Brugia malayi nuclear hormone receptor 0.0057 1 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0186 0.0251
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0027 0.3675 0.3038
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1597 0.2155
Loa Loa (eye worm) steroid hormone receptor 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4353 0.3784
Schistosoma mansoni thyroid hormone receptor 0.0057 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.218 0.2941
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0057 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0057 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4353 0.3784
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.326 0.4398
Loa Loa (eye worm) DR-78 0.0027 0.3675 0.3038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0057 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.4697 0.6337
Brugia malayi nuclear receptor NHR-88 0.0057 1 1
Brugia malayi hypothetical protein 0.003 0.4353 0.1071
Schistosoma mansoni nuclear hormone receptor 0.0057 1 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2497 0.3708
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2101 0.2574
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0057 1 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4697 0.6337
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.218 0.2941
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.4697 0.6337
Echinococcus granulosus ecdysone induced protein 78C 0.0057 1 1
Mycobacterium ulcerans polyketide synthase 0.003 0.4307 0.581
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3894 0.0346
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4307 0.581
Schistosoma mansoni thyroid hormone receptor 0.0057 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.308 0.4155
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9346 0.8966
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.4353 0.1071
Loa Loa (eye worm) hypothetical protein 0.003 0.4353 0.3784
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0057 1 1
Echinococcus granulosus FTZ F1 alpha 0.0057 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.9929 0.9887
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.003 0.4353 0.3784
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0057 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.4697 0.6337
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.4353 0.1071
Mycobacterium ulcerans thioesterase 0.0025 0.326 0.4398
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0057 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Brugia malayi Steroid receptor seven-up type 2 0.0057 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0057 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 1 1
Mycobacterium ulcerans thioesterase TesA 0.0025 0.326 0.4398
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0057 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 1 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4307 0.581
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.308 0.4155
Brugia malayi hypothetical protein 0.003 0.4353 0.1071
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4307 0.581
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0057 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0057 1 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.4697 0.6337
Onchocerca volvulus Protein ultraspiracle homolog 0.0057 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0057 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0567 0.0765
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0057 1 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7412 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0057 1 1
Onchocerca volvulus 0.0057 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4307 0.581
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4307 0.581
Schistosoma mansoni retinoic acid receptor RXR 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Echinococcus multilocularis FTZ F1 alpha 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.1546 0.0694
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4307 0.581
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7412 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 1 1
Onchocerca volvulus 0.0028 0.3894 0.0346
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.4697 1
Schistosoma mansoni coup transcription factor 0.0057 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0057 1 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.4697 0.6337
Loa Loa (eye worm) hypothetical protein 0.0051 0.8576 0.8432
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4697 0.6337
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3675 0.3038
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0057 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0057 1 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4307 0.581
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3894 0.5254
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.3162 0.4267
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2538 0.3424
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0027 0.3675 0.3038
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7412 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0057 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 3.26 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) 3.28 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) 9.285 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) 20.5962 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) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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
Potency (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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