Detailed information for compound 1331744

Basic information

Technical information
  • TDR Targets ID: 1331744
  • Name: N-(3,4-dimethoxyphenyl)-2-[4-furan-2-yl-6-(tr ifluoromethyl)pyrimidin-2-yl]sulfanylacetamid e
  • MW: 439.408 | Formula: C19H16F3N3O4S
  • H donors: 1 H acceptors: 3 LogP: 3.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)NC(=O)CSc1nc(cc(n1)C(F)(F)F)c1ccco1
  • InChi: 1S/C19H16F3N3O4S/c1-27-14-6-5-11(8-15(14)28-2)23-17(26)10-30-18-24-12(13-4-3-7-29-13)9-16(25-18)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)
  • InChiKey: WSLBGCBOEWCZBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,4-dimethoxyphenyl)-2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide
  • N-(3,4-dimethoxyphenyl)-2-[[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
  • N-(3,4-dimethoxyphenyl)-2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide
  • N-(3,4-dimethoxyphenyl)-2-[4-furan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide
  • STK339603
  • BAS 03153763
  • NCGC00101338-01
  • ZINC00901800

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Latrophilin receptor protein 2 0.0291 0.3076 0.3072
Loa Loa (eye worm) hypothetical protein 0.0349 0.3721 0.3717
Brugia malayi hypothetical protein 0.0286 0.302 0.3016
Echinococcus granulosus mothers against decapentaplegic 2 0.0026 0.0154 0.0346
Toxoplasma gondii hypothetical protein 0.0017 0.0061 0.0541
Loa Loa (eye worm) hypothetical protein 0.0017 0.0061 0.0054
Loa Loa (eye worm) hypothetical protein 0.0017 0.0061 0.0054
Loa Loa (eye worm) TAR-binding protein 0.0398 0.4264 0.426
Schistosoma mansoni hypothetical protein 0.0043 0.0351 0.0516
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0048 0.0411
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0017 0.0061 0.0054
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0017 0.0061 0.009
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0012 0.0007 0.001
Loa Loa (eye worm) hypothetical protein 0.0026 0.0154 0.0147
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0746 0.1098
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0124 0.2355
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0048 0.0098
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0445 0.1029
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0097 0.0668
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0012 0.0007 0.001
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0142 0.1315
Brugia malayi DIX domain containing protein 0.0017 0.0061 0.0054
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0159 0.1556
Schistosoma mansoni tar DNA-binding protein 0.0398 0.4264 0.6275
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0045 0.0371 0.0857
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0048 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0154 0.0147
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0048 0.0098
Echinococcus granulosus mothers against decapentaplegic 6 0.0026 0.0154 0.0346
Schistosoma mansoni Smad4 0.0057 0.0503 0.0741
Brugia malayi TAR-binding protein 0.0398 0.4264 0.426
Mycobacterium ulcerans thioesterase 0.002 0.0097 0.0668
Loa Loa (eye worm) hypothetical protein 0.0079 0.0746 0.074
Loa Loa (eye worm) hypothetical protein 0.0919 1 1
Schistosoma mansoni dishevelled 0.0017 0.0061 0.009
Brugia malayi MH1 domain containing protein 0.0057 0.0503 0.0497
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.0359 0.0948
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0275 0.3235
Brugia malayi Calcitonin receptor-like protein seb-1 0.0919 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0746 0.7547
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.0064 0.057
Echinococcus granulosus mothers against decapentaplegic 5 0.0057 0.0503 0.1166
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0173 0.1763
Loa Loa (eye worm) hypothetical protein 0.0014 0.0023 0.0016
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0159 0.1538
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0919 1 1
Mycobacterium ulcerans thioesterase TesA 0.002 0.0097 0.0668
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0445 0.1029
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0275 0.3235
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0012 0.0007 0.001
Onchocerca volvulus 0.0043 0.0342 0.0902
Schistosoma mansoni tar DNA-binding protein 0.0398 0.4264 0.6275
Echinococcus granulosus regulator of G protein signaling 7 0.0017 0.0061 0.0128
Toxoplasma gondii hypothetical protein 0.0027 0.0173 0.1685
Brugia malayi hypothetical protein 0.0017 0.0061 0.0054
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0746 0.1737
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0026 0.0154 0.0396
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0048 0.0042
Schistosoma mansoni regulator of G protein signaling 0.0017 0.0061 0.009
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0173 0.1329
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0142 0.1315
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0746 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0057 0.0503 0.1166
Brugia malayi Smad1 0.0057 0.0503 0.0497
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0291 0.3076 0.721
Schistosoma mansoni hypothetical protein 0.0628 0.6795 1
Loa Loa (eye worm) RNA binding protein 0.0398 0.4264 0.426
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0048 0.0425
Trypanosoma brucei PAB1-binding protein , putative 0.0101 0.0986 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0275 0.5961
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0351 0.0808
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0398 0.4264 0.426
Schistosoma mansoni smad1 5 8 and 0.0057 0.0503 0.0741
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.0986 1
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0012 0.0007 0.5
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0012 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0061 0.0054
Entamoeba histolytica hypothetical protein 0.0043 0.0351 1
Onchocerca volvulus 0.0023 0.0124 0.0316
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0012 0.0007 0.001
Loa Loa (eye worm) MH2 domain-containing protein 0.0841 0.9143 0.9142
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0089 0.0556
Trichomonas vaginalis ras GTP exchange factor, putative 0.0012 0.0007 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0017 0.0061 0.0054
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0066 0.0965
Schistosoma mansoni smad1 5 8 and 0.0057 0.0503 0.0741
Echinococcus granulosus GPCR family 2 0.0291 0.3076 0.721
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0142 0.1315
Brugia malayi MH2 domain containing protein 0.0026 0.0154 0.0147
Brugia malayi MH2 domain containing protein 0.0057 0.0503 0.0497
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0124 0.0117
Loa Loa (eye worm) hypothetical protein 0.0291 0.3076 0.3072
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0746 1
Schistosoma mansoni dep domain containing protein 0.0017 0.0061 0.009
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0142 0.0135
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0057 0.0503 0.1166
Brugia malayi hypothetical protein 0.0043 0.0351 0.0344
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0351 0.0516
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0057 0.0503 0.0741
Brugia malayi regulator of G-protein signaling egl-10 0.0017 0.0061 0.0054
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0159 0.1556
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0159 0.1556
Echinococcus multilocularis smad 0.0057 0.0503 0.1166
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0746 0.5
Schistosoma mansoni tar DNA-binding protein 0.0398 0.4264 0.6275
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0142 0.1315
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0017 0.0061 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0398 0.4264 0.6275
Brugia malayi hypothetical protein 0.0017 0.0061 0.0054
Brugia malayi hypothetical protein 0.0065 0.0591 0.0585
Schistosoma mansoni z-protein (S1r protein) 0.0017 0.0061 0.009
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0047 0.0396
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0048 0.0098
Brugia malayi RNA binding protein 0.0398 0.4264 0.426
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0173 0.1329
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0017 0.0061 0.0054
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0142 0.1315
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0746 0.5
Leishmania major hypothetical protein, conserved 0.0101 0.0986 1
Echinococcus granulosus Smad4 0.0057 0.0503 0.1166
Brugia malayi Probable ClpP-like protease 0.0079 0.0746 0.074
Entamoeba histolytica hypothetical protein 0.0043 0.0351 1
Schistosoma mansoni hypothetical protein 0.0291 0.3076 0.4527
Schistosoma mansoni hypothetical protein 0.0291 0.3076 0.4527
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0133 0.258
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0159 0.1556
Loa Loa (eye worm) hypothetical protein 0.0041 0.0325 0.0319
Brugia malayi RNA recognition motif domain containing protein 0.0398 0.4264 0.426
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0017 0.0061 0.0146
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0089 0.0556
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0746 0.7547
Schistosoma mansoni smad1 5 8 and 0.0057 0.0503 0.0741
Schistosoma mansoni smad 0.0057 0.0503 0.0741
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0092 0.1605
Schistosoma mansoni smad 0.0026 0.0154 0.0226
Schistosoma mansoni ras GTP exchange factor 0.0012 0.0007 0.001
Echinococcus granulosus tar DNA binding protein 0.0398 0.4264 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.0384 0.0377
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0746 0.1737
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0045 0.0371 0.0857
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0291 0.3076 0.721
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.0986 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.302 0.7079
Loa Loa (eye worm) MH1 domain-containing protein 0.0057 0.0503 0.0497
Loa Loa (eye worm) hypothetical protein 0.0628 0.6795 0.6793
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0159 0.3177
Onchocerca volvulus 0.0058 0.0514 0.1365
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0124 0.0117
Loa Loa (eye worm) nuclear factor I 0.0032 0.0221 0.0214
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0048 0.0071
Schistosoma mansoni hypothetical protein 0.0291 0.3076 0.4527
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0291 0.3076 0.3072
Loa Loa (eye worm) Smad1 0.0057 0.0503 0.0497
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0142 0.2777
Brugia malayi isocitrate dehydrogenase 0.0016 0.0048 0.0042
Brugia malayi mothers against decapentaplegic homolog 3 0.0026 0.0154 0.0147
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0017 0.0061 0.0054
Loa Loa (eye worm) transcription factor SMAD2 0.0841 0.9143 0.9142
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0048 0.0425
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0048 0.0411
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0048 0.0098
Schistosoma mansoni dishevelled 0.0017 0.0061 0.009
Echinococcus granulosus smad 0.0057 0.0503 0.1166
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0133 0.258
Echinococcus multilocularis GPCR, family 2 0.0291 0.3076 0.721
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0275 0.5961
Plasmodium vivax ataxin-2 like protein, putative 0.0101 0.0986 1
Echinococcus granulosus segment polarity protein dishevelled 0.0017 0.0061 0.0128
Entamoeba histolytica hypothetical protein 0.0043 0.0351 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0159 0.3177
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0351 0.0808
Loa Loa (eye worm) hypothetical protein 0.0286 0.302 0.3016
Schistosoma mansoni Smad4 0.0026 0.0154 0.0226
Echinococcus granulosus TGF beta signal transducer SmadC 0.0057 0.0503 0.1166
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0746 0.5
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0097 0.1704
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.0986 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0445 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0017 0.0061 0.0128
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0349 0.3721 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0445 0.567
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0214
Schistosoma mansoni hypothetical protein 0.0291 0.3076 0.4527
Schistosoma mansoni hypothetical protein 0.0045 0.0371 0.0547
Brugia malayi MH2 domain containing protein 0.0057 0.0503 0.0497
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0746 0.7442
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0142 0.2777
Loa Loa (eye worm) MH2 domain-containing protein 0.0057 0.0503 0.0497
Mycobacterium ulcerans polyketide synthase 0.0026 0.0159 0.1556
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0048 0.0098
Toxoplasma gondii LsmAD domain-containing protein 0.0101 0.0986 1
Brugia malayi MH1 domain containing protein 0.0032 0.0221 0.0214
Brugia malayi MH1 domain containing protein 0.0057 0.0503 0.0497
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.302 0.7079
Echinococcus multilocularis tar DNA binding protein 0.0398 0.4264 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0017 0.0061 0.0128
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0048 0.0098
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0154 0.0147
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0159 0.1556
Entamoeba histolytica hypothetical protein 0.0043 0.0351 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.0986 1
Brugia malayi N-terminal motif family protein 0.0349 0.3721 0.3717
Brugia malayi MH1 domain containing protein 0.0032 0.0221 0.0214
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0514 0.0508
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0089 0.0556
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0291 0.3076 0.721
Schistosoma mansoni hypothetical protein 0.0058 0.0514 0.0756
Echinococcus multilocularis segment polarity protein dishevelled 0.0017 0.0061 0.0128
Loa Loa (eye worm) latrophilin receptor protein 2 0.0291 0.3076 0.3072
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0159 0.3177
Trichomonas vaginalis ras GTP exchange factor, putative 0.0012 0.0007 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0142 0.2777
Echinococcus multilocularis segment polarity protein dishevelled 0.0017 0.0061 0.0128
Echinococcus granulosus regulator of G protein signaling 7 0.0017 0.0061 0.0128
Echinococcus granulosus segment polarity protein dishevelled 0.0017 0.0061 0.0128
Brugia malayi latrophilin 2 splice variant baaae 0.0628 0.6795 0.6793
Schistosoma mansoni survival motor neuron protein 0.0058 0.0514 0.0756
Echinococcus multilocularis Smad4 0.0057 0.0503 0.1166
Mycobacterium ulcerans polyketide synthase 0.0025 0.0142 0.1315
Brugia malayi MH2 domain containing protein 0.0841 0.9143 0.9142
Loa Loa (eye worm) hypothetical protein 0.0101 0.0986 0.098
Onchocerca volvulus 0.0017 0.0061 0.0146
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0746 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0142 0.1315
Brugia malayi hypothetical protein 0.0101 0.0986 0.098
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0746 0.7442
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0746 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0048 0.0551
Echinococcus multilocularis mothers against decapentaplegic 6 0.0026 0.0154 0.0346
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0291 0.3076 0.721
Echinococcus multilocularis mothers against decapentaplegic 2 0.0026 0.0154 0.0346
Echinococcus multilocularis regulator of G protein signaling 7 0.0017 0.0061 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0398 0.4264 0.6275
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0445 1
Schistosoma mansoni Smad4 0.0026 0.0154 0.0226
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0138 0.0132

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 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) 1.636 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 2.3109 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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