Detailed information for compound 1549489

Basic information

Technical information
  • TDR Targets ID: 1549489
  • Name: 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)s ulfonylamino]-N-(5-chloro-2,4-dimethoxyphenyl )propanamide
  • MW: 495.976 | Formula: C22H26ClN3O6S
  • H donors: 2 H acceptors: 4 LogP: 2.09 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c(cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CC(N2C(=O)C)C)Cl
  • InChi: 1S/C22H26ClN3O6S/c1-13-9-15-10-16(5-6-19(15)26(13)14(2)27)33(29,30)24-8-7-22(28)25-18-11-17(23)20(31-3)12-21(18)32-4/h5-6,10-13,24H,7-9H2,1-4H3,(H,25,28)
  • InChiKey: XXGGBDYGXYHAQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(1-acetyl-2-methyl-indolin-5-yl)sulfonylamino]-N-(5-chloro-2,4-dimethoxy-phenyl)propanamide
  • 3-[(1-acetyl-2-methyl-5-indolinyl)sulfonylamino]-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
  • 3-[(1-acetyl-2-methyl-indolin-5-yl)sulfonylamino]-N-(5-chloro-2,4-dimethoxy-phenyl)propionamide
  • N-(5-chloro-2,4-dimethoxy-phenyl)-3-[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 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
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
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0142 0.1485 0.1464
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Brugia malayi GCC2 and GCC3 family protein 0.0187 0.1971 0.1951
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.071 0.0687
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Onchocerca volvulus 0.0927 1 1
Onchocerca volvulus Peroxidasin homolog 0.0927 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0037 0.0037
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0008 0.0026 0.0624
Plasmodium vivax multidomain scavenger receptor, putative 0.0142 0.1485 1
Trichomonas vaginalis abcb9, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Plasmodium vivax perforin-like protein 2 0.0079 0.0799 0.5299
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0037 0.0012
Loa Loa (eye worm) inositol-1 0.0043 0.0409 0.0385
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0037 0.0012
Onchocerca volvulus Dual oxidase homolog 0.0927 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0028 0.024 0.5876
Trichomonas vaginalis ABC transporter, putative 0.0008 0.0026 0.0624
Schistosoma mansoni coup transcription factor 0.0009 0.0037 0.0012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0714 0.7697 0.7691
Echinococcus granulosus multidrug resistance protein 1 0.0008 0.0026 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0037 0.0012
Schistosoma mansoni notch 0.0187 0.1971 0.1951
Echinococcus granulosus aldo keto reductase 0.0028 0.024 0.024
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0008 0.0026 0.0001
Echinococcus multilocularis peroxidasin 0.0927 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0037 0.0037
Schistosoma mansoni lipoxygenase 0.0595 0.6396 0.6386
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Toxoplasma gondii perforin-like protein PLP1 0.0079 0.0799 0.3973
Entamoeba histolytica aldose reductase, putative 0.0028 0.024 0.5602
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.024 0.0215
Echinococcus multilocularis macrophage expressed protein 0.0714 0.7697 0.7697
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0037 0.0012
Echinococcus multilocularis notch 0.0187 0.1971 0.1971
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0008 0.0025 0.0025
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0048 0.0023
Onchocerca volvulus 0.0927 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.071 0.2653
Plasmodium falciparum perforin-like protein 2 0.0079 0.0799 0.5299
Loa Loa (eye worm) animal heme peroxidase 0.0927 1 1
Plasmodium vivax perforin-like protein 5 0.0079 0.0799 0.5299
Echinococcus multilocularis fat cadherin tumor suppressor 0.0187 0.1971 0.1971
Trichomonas vaginalis abcb9, putative 0.0008 0.0026 0.0624
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.024 0.0215
Brugia malayi Calcium binding EGF domain containing protein 0.0187 0.1971 0.1951
Loa Loa (eye worm) animal heme peroxidase 0.0927 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0187 0.1971 0.1971
Schistosoma mansoni potassium channel beta 0.0028 0.024 0.0215
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0037 0.0037
Trichomonas vaginalis aldo/keto reductase, putative 0.0028 0.024 0.5876
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0037 0.0037
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0037 0.0037
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0048 0.0048
Echinococcus multilocularis neurogenic locus notch protein 0.0187 0.1971 0.1971
Schistosoma mansoni Smad4 0.001 0.0048 0.0022
Loa Loa (eye worm) oxidoreductase 0.0028 0.024 0.0216
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0409 0.0952
Schistosoma mansoni hypothetical protein 0.0142 0.1485 0.1463
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0008 0.0026 0.0026
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0028 0.024 0.3137
Loa Loa (eye worm) oxidoreductase 0.0028 0.024 0.0216
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0037 0.0037
Brugia malayi steroid hormone receptor 0.0009 0.0037 0.0012
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.024 0.0215
Onchocerca volvulus 0.0927 1 1
Schistosoma mansoni rab6-interacting 0.0142 0.1485 0.1463
Echinococcus multilocularis protein jagged 1 0.0187 0.1971 0.1971
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0001
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Trichomonas vaginalis aldo/keto reductase, putative 0.0028 0.024 0.5876
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Trichomonas vaginalis aldo/keto reductase, putative 0.0028 0.024 0.5876
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0037 0.0012
Onchocerca volvulus Peroxidase homolog 0.0927 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0187 0.1971 0.1971
Onchocerca volvulus 0.0142 0.1485 0.1463
Echinococcus granulosus lipoxygenase domain containing protein 0.0142 0.1485 0.1485
Schistosoma mansoni aldo-keto reductase 0.0028 0.024 0.0215
Echinococcus granulosus Smad4 0.001 0.0048 0.0048
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0409 0.1971
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0037 0.0037
Echinococcus multilocularis protein jagged 2 0.0187 0.1971 0.1971
Brugia malayi Animal haem peroxidase family protein 0.0927 1 1
Schistosoma mansoni hypothetical protein 0.0187 0.1971 0.1951
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0037 0.0012
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0028 0.024 0.5876
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Echinococcus granulosus protein jagged 1 0.0187 0.1971 0.1971
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.071 0.071
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0409 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0142 0.1485 0.1485
Schistosoma mansoni peroxidasin 0.0927 1 1
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0191 0.2012 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0037 0.0037
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Trichomonas vaginalis abcb9, putative 0.0008 0.0026 0.0624
Onchocerca volvulus 0.0187 0.1971 0.1951
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0028 0.024 0.5876
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0851 0.9174 0.9174
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0008 0.0026 0.0624
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0001
Schistosoma mansoni rab6-interacting 0.0142 0.1485 0.1463
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0037 0.0012
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Plasmodium falciparum aldehyde reductase, putative 0.0028 0.024 0.1473
Onchocerca volvulus 0.0187 0.1971 0.1951
Entamoeba histolytica aldose reductase, putative 0.0028 0.024 0.5602
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.071 0.3521
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0187 0.1971 0.1951
Plasmodium falciparum perforin-like protein 4 0.0079 0.0799 0.5299
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0037 0.0012
Echinococcus granulosus protein jagged 2 0.0187 0.1971 0.1971
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.071 0.0687
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0008 0.0026 0.0624
Onchocerca volvulus 0.0142 0.1485 0.1463
Loa Loa (eye worm) hypothetical protein 0.0142 0.1485 0.1464
Brugia malayi EGF-like domain containing protein 0.0187 0.1971 0.1951
Giardia lamblia High cysteine protein 0.0187 0.1971 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0028 0.024 0.0215
Brugia malayi EGF-like domain containing protein 0.0187 0.1971 0.1951
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0008 0.0026 0.0624
Schistosoma mansoni cell polarity protein 0.0187 0.1971 0.1951
Echinococcus multilocularis neural cadherin 0.0187 0.1971 0.1971
Loa Loa (eye worm) hypothetical protein 0.0028 0.024 0.0216
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Echinococcus multilocularis fibropellin Ia 0.0187 0.1971 0.1971
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0028 0.024 0.1104
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Brugia malayi Animal haem peroxidase family protein 0.0927 1 1
Plasmodium falciparum perforin-like protein 1 0.0079 0.0799 0.5299
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0409 0.0409
Echinococcus multilocularis aldo keto reductase 0.0028 0.024 0.024
Plasmodium falciparum perforin-like protein 5 0.0079 0.0799 0.5299
Onchocerca volvulus 0.0028 0.024 0.0215
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.071 0.2653
Trichomonas vaginalis ABC transporter, putative 0.0008 0.0026 0.0624
Echinococcus multilocularis multidrug resistance protein 1 0.0008 0.0026 0.0026
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0028 0.024 0.3137
Brugia malayi MH2 domain containing protein 0.001 0.0048 0.0022
Brugia malayi Blistered cuticle protein 3 0.0927 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.024 0.0215
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Echinococcus granulosus aldo keto reductase 0.0028 0.024 0.024
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Echinococcus multilocularis lipoxygenase domain containing protein 0.0142 0.1485 0.1485
Schistosoma mansoni laminin gamma-3 chain 0.0187 0.1971 0.1951
Loa Loa (eye worm) Smad1 0.001 0.0048 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0037 0.0012
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Echinococcus multilocularis aldo keto reductase 0.0028 0.024 0.024
Plasmodium vivax perforin-like protein 1 0.0079 0.0799 0.5299
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0008 0.0026 0.0026
Loa Loa (eye worm) oxidoreductase 0.0028 0.024 0.0216
Plasmodium vivax perforin-like protein 3 0.0079 0.0799 0.5299
Brugia malayi NADH-dependent xylose reductase 0.0028 0.024 0.0215
Onchocerca volvulus Peroxidasin homolog 0.0927 1 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0187 0.1971 0.1951
Echinococcus multilocularis Smad4 0.001 0.0048 0.0048
Brugia malayi Cadherin domain containing protein 0.0187 0.1971 0.1951
Onchocerca volvulus 0.0028 0.024 0.0215
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0008 0.0026 0.0624
Schistosoma mansoni polycystin 1-related 0.0142 0.1485 0.1463
Toxoplasma gondii aldose reductase, putative 0.0028 0.024 0.1104
Brugia malayi EGF-like domain containing protein 0.0187 0.1971 0.1951
Toxoplasma gondii aldo-keto reductase 0.0028 0.024 0.1104
Brugia malayi Muscle positioning protein 4 0.0187 0.1971 0.1951
Onchocerca volvulus 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Brugia malayi Peroxidasin 0.0927 1 1
Onchocerca volvulus Slit protein homolog 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Onchocerca volvulus 0.0009 0.0037 0.0012
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0037 0.0012
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0187 0.1971 0.1951
Schistosoma mansoni loxhd1 0.0142 0.1485 0.1463
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0037 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.024 0.5876
Brugia malayi nuclear hormone receptor 0.0009 0.0037 0.0012
Echinococcus multilocularis Polycystic kidney disease protein 0.0142 0.1485 0.1485
Trichomonas vaginalis taga, putative 0.0008 0.0026 0.0624
Onchocerca volvulus 0.0187 0.1971 0.1951
Onchocerca volvulus 0.0028 0.024 0.0215
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Schistosoma mansoni slit 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Echinococcus granulosus neurogenic locus notch protein 4 0.0187 0.1971 0.1971
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0037 0.0012
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Chlamydia trachomatis hypothetical protein 0.0079 0.0799 1
Toxoplasma gondii EGF family domain-containing protein 0.0187 0.1971 1
Echinococcus multilocularis neurogenic locus protein delta 0.0187 0.1971 0.1971
Echinococcus granulosus neurogenic locus notch protein 0.0187 0.1971 0.1971
Loa Loa (eye worm) animal heme peroxidase 0.0927 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0037 0.0012
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Schistosoma mansoni notch 0.0187 0.1971 0.1951
Plasmodium falciparum perforin-like protein 3 0.0079 0.0799 0.5299
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0008 0.0026 0.0624
Toxoplasma gondii MAC/Perforin domain-containing protein 0.0079 0.0799 0.3973
Echinococcus granulosus neurogenic locus notch protein 0.0187 0.1971 0.1971
Leishmania major prostaglandin f synthase, putative 0.0028 0.024 0.3137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Echinococcus multilocularis aldo keto reductase 0.0028 0.024 0.024
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0008 0.0026 0.0026
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Schistosoma mansoni notch 0.0187 0.1971 0.1951
Echinococcus multilocularis lipoxygenase domain containing protein 0.0142 0.1485 0.1485
Entamoeba histolytica alcohol dehydrogenase, putative 0.0028 0.024 0.5602
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Onchocerca volvulus Chorion peroxidase homolog 0.0927 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0008 0.0026 0.0624
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Brugia malayi Inositol-1 0.0043 0.0409 0.0385
Schistosoma mansoni notch 0.0187 0.1971 0.1951
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.071 0.2653
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0037 0.0012
Brugia malayi EGF-like domain containing protein 0.0187 0.1971 0.1951
Mycobacterium ulcerans epoxide hydrolase EphA 0.0191 0.2012 1
Loa Loa (eye worm) animal heme peroxidase 0.0927 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0028 0.024 0.0216
Schistosoma mansoni inositol monophosphatase 0.0043 0.0409 0.0385
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0037 0.0012
Brugia malayi MH2 domain containing protein 0.001 0.0048 0.0022
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Echinococcus multilocularis voltage gated potassium channel subunit 0.0028 0.024 0.024
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0037 0.0012
Schistosoma mansoni pol-related 0.0028 0.024 0.0215
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0.0037 0.0012
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Schistosoma mansoni notch 0.0187 0.1971 0.1951
Schistosoma mansoni hypothetical protein 0.0187 0.1971 0.1951
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Brugia malayi hypothetical protein 0.0142 0.1485 0.1463
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0037 0.0012
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.036 0.1683
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0037 0.0037
Onchocerca volvulus 0.0028 0.024 0.0215
Echinococcus granulosus RUN 0.0142 0.1485 0.1485
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Brugia malayi Delta serrate ligand family protein 0.0187 0.1971 0.1951
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0037 0.0012
Echinococcus granulosus slit 2 protein 0.0187 0.1971 0.1971
Loa Loa (eye worm) oxidoreductase 0.0028 0.024 0.0216
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Schistosoma mansoni notch 0.0187 0.1971 0.1951
Brugia malayi MH1 domain containing protein 0.001 0.0048 0.0022
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Echinococcus multilocularis smad 0.001 0.0048 0.0048
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Brugia malayi notch-like transmembrane receptor 0.0187 0.1971 0.1951
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0037 0.0012
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0037 0.0012
Echinococcus granulosus hypothetical protein 0.0028 0.024 0.024
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.071 0.071
Echinococcus granulosus multidrug resistance protein 1 0.0008 0.0026 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0037 0.0012
Trichomonas vaginalis ABC transporter, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Brugia malayi MH1 domain containing protein 0.001 0.0048 0.0022
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0409 1
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0037 0.0012
Onchocerca volvulus Bile acid receptor homolog 0.0009 0.0037 0.0012
Plasmodium falciparum LCCL domain-containing protein 0.0142 0.1485 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0851 0.9174 0.9174
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0037 0.0012
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0008 0.0026 0.0026
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0008 0.0026 0.0026
Loa Loa (eye worm) oxidoreductase 0.0028 0.024 0.0216
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0.0037 0.0012
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0409 1
Echinococcus multilocularis protein jagged 1 0.0187 0.1971 0.1971
Schistosoma mansoni hypothetical protein 0.0187 0.1971 0.1951
Brugia malayi Cadherin domain containing protein 0.0187 0.1971 0.1951
Echinococcus multilocularis RUN 0.0142 0.1485 0.1485
Echinococcus granulosus notch 0.0187 0.1971 0.1971
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Plasmodium vivax aldehyde reductase, putative 0.0028 0.024 0.1473
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0008 0.0026 0.0624
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0008 0.0026 0.0624
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0048 0.0048
Brugia malayi Animal haem peroxidase family protein 0.0927 1 1
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0409 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0008 0.0026 0.0624
Echinococcus granulosus protein jagged 1 0.0187 0.1971 0.1971
Brugia malayi ecdysteroid receptor 0.0009 0.0037 0.0012
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0409 0.0409
Onchocerca volvulus 0.0187 0.1971 0.1951
Loa Loa (eye worm) multidrug resistance protein 3 0.0008 0.0026 0.0001
Onchocerca volvulus Peroxidase homolog 0.0927 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0008 0.0026 0.0026
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0008 0.0026 0.0026
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0048 0.0023
Onchocerca volvulus 0.0028 0.024 0.0215
Brugia malayi Calcium binding EGF domain containing protein 0.0187 0.1971 0.1951
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0037 0.0012
Loa Loa (eye worm) blistered cuticle protein 3 0.0927 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0037 0.0037
Brugia malayi Animal haem peroxidase family protein 0.0927 1 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0048 0.0022
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0008 0.0026 0.0026
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0028 0.024 0.3137
Echinococcus granulosus smad 0.001 0.0048 0.0048
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0037 0.0012
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0037 0.0012
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0409 0.5599
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0008 0.0026 0.0624
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Mycobacterium tuberculosis Conserved protein 0.0028 0.024 0.1081
Echinococcus granulosus neural cadherin 0.0187 0.1971 0.1971
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0037 0.0012
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0028 0.024 0.1473
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0008 0.0026 0.0026
Echinococcus multilocularis neurogenic locus protein delta 0.0187 0.1971 0.1971
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0037 0.0037
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) doublecortin family protein 0.0142 0.1485 0.1464
Schistosoma mansoni peroxidasin 0.0927 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0037 0.0012
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0409 1
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.036 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Schistosoma mansoni smad 0.001 0.0048 0.0022
Echinococcus granulosus protein jagged 2 0.0187 0.1971 0.1971
Onchocerca volvulus 0.0028 0.024 0.0215
Trichomonas vaginalis ABC transporter, putative 0.0008 0.0026 0.0624
Schistosoma mansoni smad1 5 8 and 0.001 0.0048 0.0022
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Brugia malayi nuclear receptor NHR-88 0.0009 0.0037 0.0012
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.071 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0037 0.0012
Schistosoma mansoni hypothetical protein 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0037 0.0037
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0037 0.0037
Echinococcus multilocularis ATP binding cassette sub family B 0.0008 0.0025 0.0025
Brugia malayi hypothetical protein 0.0142 0.1485 0.1463
Echinococcus granulosus voltage gated potassium channel subunit 0.0028 0.024 0.024
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0037 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0037 0.0012
Echinococcus granulosus Polycystic kidney disease protein 0.0142 0.1485 0.1485
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0037 0.0012
Plasmodium vivax perforin-like protein 4 0.0079 0.0799 0.5299
Echinococcus multilocularis aldo keto reductase 0.0028 0.024 0.024
Brugia malayi Doublecortin family protein 0.0142 0.1485 0.1463
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0028 0.024 0.5876
Brugia malayi Animal haem peroxidase family protein 0.0927 1 1
Echinococcus granulosus macrophage expressed protein 0.0714 0.7697 0.7697
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.071 0.3447
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0028 0.024 0.024
Schistosoma mansoni smad1 5 8 and 0.001 0.0048 0.0022
Loa Loa (eye worm) Notch2 0.0187 0.1971 0.1951
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0409 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0028 0.024 0.5602
Schistosoma mansoni inositol monophosphatase 0.0043 0.0409 0.0385
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0037 0.0012
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1506 0.1485
Mycobacterium tuberculosis Probable oxidoreductase 0.0028 0.024 0.1081
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0037 0.0012
Brugia malayi EGF-like domain containing protein 0.0187 0.1971 0.1951
Echinococcus granulosus peroxidasin 0.0927 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0028 0.024 0.1104
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0187 0.1971 0.1951
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0409 1
Brugia malayi EGF-like domain containing protein 0.0187 0.1971 0.1951
Brugia malayi MH2 domain containing protein 0.0144 0.1506 0.1484
Schistosoma mansoni lipoxygenase 0.0851 0.9174 0.9172
Schistosoma mansoni septate junction protein 0.0187 0.1971 0.1951
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0012
Brugia malayi EGF-like domain containing protein 0.0187 0.1971 0.1951
Echinococcus granulosus fibropellin Ia 0.0187 0.1971 0.1971
Loa Loa (eye worm) notch protein 0.0187 0.1971 0.1951
Schistosoma mansoni aldo-keto reductase 0.0028 0.024 0.0215
Echinococcus granulosus multidrug resistance protein 1 0.0008 0.0026 0.0026
Brugia malayi Smad1 0.001 0.0048 0.0022
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0187 0.1971 0.1971
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0187 0.1971 0.1951
Plasmodium falciparum aldo-keto reductase, putative 0.0028 0.024 0.1473
Schistosoma mansoni smad1 5 8 and 0.001 0.0048 0.0022
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.024 0.5876
Schistosoma mansoni hypothetical protein 0.0187 0.1971 0.1951
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0048 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0037 0.0012
Echinococcus granulosus delta-like protein 1 0.0187 0.1971 0.1971
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0409 0.5
Onchocerca volvulus 0.0028 0.024 0.0215
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0008 0.0026 0.0624
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Leishmania major aldo-keto reductase-like protein 0.0028 0.024 0.3137
Entamoeba histolytica aldose reductase, putative 0.0028 0.024 0.5602
Echinococcus multilocularis slit 2 protein 0.0187 0.1971 0.1971
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1506 0.1485
Onchocerca volvulus Putative cubilin 0.0187 0.1971 0.1951
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0187 0.1971 0.1951
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0028 0.024 0.024
Echinococcus granulosus aldo keto reductase 0.0028 0.024 0.024
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0037 0.0012
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0037 0.0012

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 12.5893 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) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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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