Detailed information for compound 1888699

Basic information

Technical information
  • TDR Targets ID: 1888699
  • Name: N-[2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methyl idene]hydrazinyl]-2-oxoethyl]-2,2-di(phenyl)a cetamide
  • MW: 446.455 | Formula: C24H22N4O5
  • H donors: 2 H acceptors: 4 LogP: 3.61 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1[N+](=O)[O-])/C=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1
  • InChi: 1S/C24H22N4O5/c1-33-21-13-12-17(14-20(21)28(31)32)15-26-27-22(29)16-25-24(30)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16H2,1H3,(H,25,30)(H,27,29)/b26-15-
  • InChiKey: WZAAGQKCHACYHP-YSMPRRRNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(N'Z)-N'-[(4-methoxy-3-nitro-phenyl)methylene]hydrazino]-2-oxo-ethyl]-2,2-di(phenyl)acetamide
  • N-[2-[(N'Z)-N'-[(4-methoxy-3-nitrophenyl)methylene]hydrazino]-2-oxoethyl]-2,2-di(phenyl)acetamide
  • N-[2-keto-2-[(N'Z)-N'-(4-methoxy-3-nitro-benzylidene)hydrazino]ethyl]-2,2-di(phenyl)acetamide
  • N-[2-[(2Z)-2-[(4-methoxy-3-nitro-phenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-2,2-di(phenyl)ethanamide
  • STOCK2S-94785

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 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
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 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 ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 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
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis 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
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans polyketide synthase Pks13 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii type I fatty acid synthase, putative 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
Neospora caninum Short-chain dehydrogenase/reductase SDR, related 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable polyketide synthase Pks15 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 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
Neospora caninum KR domain domain-containing protein, putative 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
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 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 ulcerans polyketide synthase Pks9 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans polyketide synthase 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 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
Mycobacterium leprae 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.1409 0.136
Loa Loa (eye worm) hypothetical protein 0.0015 0.0449 0.0394
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.0029 0.0031
Schistosoma mansoni smad1 5 8 and 0.001 0.0057 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0233 0.0233
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0233 0.0375
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0773 0.0741
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0233 0.0375
Brugia malayi steroid hormone receptor 0.0012 0.0233 0.0233
Giardia lamblia Methyltransferase like 2 0.0009 0 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0229 0.0482
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.1555 0.1555
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.1555 0.3268
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.0029 0.006
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0233 0.049
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0233 0.0375
Loa Loa (eye worm) hypothetical protein 0.0016 0.0493 0.0439
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0233 0.0375
Schistosoma mansoni lamin 0.0033 0.174 0.3658
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.1693 0.6337
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0233 0.0233
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0233 0.0375
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.0801 0.2941
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.4757 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.1693 0.3559
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4757 1
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0353 0.0298
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0233 0.0177
Mycobacterium ulcerans polyketide synthase 0.0032 0.1693 0.354
Brugia malayi AMP-binding enzyme family protein 0.0028 0.1409 0.1409
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0493 0.0928
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.0801 0.166
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.1184 0.2489
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.1693 0.2879
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0233 0.0375
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.1555 0.3249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0233 0.0177
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4757 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0233 0.049
Loa Loa (eye worm) hypothetical protein 0.0033 0.174 0.1693
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0233 0.049
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.1693 0.3559
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Loa Loa (eye worm) fatty acid synthase 0.003 0.1525 0.1477
Echinococcus multilocularis musashi 0.0033 0.174 0.3581
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.174 0.174
Schistosoma mansoni smad1 5 8 and 0.001 0.0057 0.0119
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0928 0.1951
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.4757 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.1693 0.6337
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.1486 0.3125
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.1184 0.4398
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.3547 0.3547
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0233 0.049
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0233 0.049
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.174 0.1693
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0621 0.0621
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0233 0.049
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0233 0.0375
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1555 0.3249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0233 0.0177
Schistosoma mansoni smad1 5 8 and 0.001 0.0057 0.0119
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.1555 0.581
Brugia malayi intermediate filament protein 0.0033 0.174 0.174
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.4757 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.1555 0.3268
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.0801 0.166
Schistosoma mansoni Smad4 0.001 0.0057 0.0119
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.2655 0.5582
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0233 0.0233
Onchocerca volvulus 0.0052 0.3202 0.9555
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0233 0.0375
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.1693 0.3559
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0233 0.0375
Mycobacterium ulcerans thioesterase TesA 0.0025 0.1184 0.2467
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0233 0.0177
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.2655 0.5582
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0233 0.049
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0233 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0233 0.0233
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0233 0.0375
Onchocerca volvulus 0.0033 0.174 0.4849
Loa Loa (eye worm) hypothetical protein 0.0032 0.1696 0.1649
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.2655 0.5569
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.1693 0.6337
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0233 0.0233
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0233 0.049
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0233 0.0375
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0233 0.0233
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0233 0.0375
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1555 0.3249
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0233 0.049
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0233 0.0233
Echinococcus granulosus lamin 0.0033 0.174 0.3581
Trichomonas vaginalis conserved hypothetical protein 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0233 0.0233
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0233 0.0177
Schistosoma mansoni intermediate filament proteins 0.0033 0.174 0.3658
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.112 0.4155
Loa Loa (eye worm) hypothetical protein 0.0015 0.0449 0.0394
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.1409 0.2961
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.1486 0.3125
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.112 0.2332
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0233 0.049
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0233 0.0233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0233 0.0233
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0233 0.0233
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0009 0.0014 0.0029
Schistosoma mansoni coup transcription factor 0.0012 0.0233 0.049
Brugia malayi ecdysteroid receptor 0.0012 0.0233 0.0233
Schistosoma mansoni lamin 0.0033 0.174 0.3658
Brugia malayi nuclear receptor NHR-88 0.0012 0.0233 0.0233
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0233 0.0375
Brugia malayi nuclear hormone receptor 0.0012 0.0233 0.0233
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0233 0.049
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.1555 0.581
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0233 0.0233
Onchocerca volvulus 0.0028 0.1409 0.3783
Loa Loa (eye worm) hypothetical protein 0.0017 0.0576 0.0523
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0595 0.125
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0621 0.0567
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.2655 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4757 1
Echinococcus multilocularis lamin dm0 0.0033 0.174 0.3581
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.1693 0.354
Brugia malayi MH1 domain containing protein 0.001 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0233 0.0233
Onchocerca volvulus 0.0033 0.174 0.4849
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.4757 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0233 0.049
Mycobacterium ulcerans thioesterase 0.0025 0.1184 0.2467
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Brugia malayi MH1 domain containing protein 0.001 0.0057 0.0057
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.1149 0.2416
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.4757 1
Brugia malayi AMP-binding enzyme family protein 0.0009 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0233 0.0233
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0233 0.0375
Loa Loa (eye worm) hypothetical protein 0.0012 0.0233 0.0177
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.1555 0.3268
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0057 0.0119
Loa Loa (eye worm) hypothetical protein 0.0051 0.3067 0.3028
Brugia malayi MH2 domain containing protein 0.001 0.0057 0.0057
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.1693 0.354
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4757 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.112 0.2332
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0493 0.0928
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0233 0.0375
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.1555 0.3249
Mycobacterium ulcerans polyketide synthase 0.003 0.1555 0.3249
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.3341 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0233 0.0177
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0095 0.0199
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0233 0.0375
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0914 0.1068
Echinococcus granulosus lamin dm0 0.0033 0.174 0.3581
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4757 1
Brugia malayi Smad1 0.001 0.0057 0.0057
Echinococcus granulosus intermediate filament protein 0.0033 0.174 0.3581
Echinococcus multilocularis lamin 0.0033 0.174 0.3581
Loa Loa (eye worm) intermediate filament protein 0.0033 0.174 0.1693
Schistosoma mansoni smad 0.001 0.0057 0.0119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0233 0.0177
Brugia malayi MH2 domain containing protein 0.001 0.0057 0.0057
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0233 0.0375
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0233 0.0233
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0233 0.0375

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 12.3 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
IC50 (functional) 16.6 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
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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