Detailed information for compound 1450563

Basic information

Technical information
  • TDR Targets ID: 1450563
  • Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E) -3-[4-(difluoromethoxy)-3-methoxyphenyl]prop- 2-enoate
  • MW: 426.411 | Formula: C20H24F2N2O6
  • H donors: 2 H acceptors: 3 LogP: 4.41 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)OCC(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F
  • InChi: 1S/C20H24F2N2O6/c1-28-16-11-13(7-9-15(16)30-19(21)22)8-10-18(26)29-12-17(25)24-20(27)23-14-5-3-2-4-6-14/h7-11,14,19H,2-6,12H2,1H3,(H2,23,24,25,27)/b10-8+
  • InChiKey: VQWUEWPLWBAJBO-CSKARUKUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (E)-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoate
  • (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester
  • (E)-3-[4-(difluoromethoxy)-3-methoxy-phenyl]acrylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.002 0.0106 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0419 0.5444 0.5444
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3423 0.5043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0245 0.0245
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.002 0.0106 0.0106
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.002 0.0106 0.0193
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.002 0.0106 0.5
Brugia malayi hypothetical protein 0.0016 0.0055 0.0055
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0245 0.0245
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.002 0.0106 0.0155
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.002 0.0106 0.0193
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0245 0.0245
Brugia malayi MH1 domain containing protein 0.0052 0.0532 0.0532
Loa Loa (eye worm) pigment dispersing factor receptor c 0.076 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0311 1
Schistosoma mansoni smad1 5 8 and 0.0052 0.0532 0.0783
Loa Loa (eye worm) TAR-binding protein 0.0268 0.3423 0.3423
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0245 0.0245
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0245 0.0448
Echinococcus multilocularis Smad4 0.0052 0.0532 0.0976
Brugia malayi Probable isocitrate dehydrogenase 0.002 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.076 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0245 0.0448
Brugia malayi MH2 domain containing protein 0.0052 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Toxoplasma gondii isocitrate dehydrogenase 0.0162 0.2012 1
Entamoeba histolytica hypothetical protein 0.0035 0.0311 1
Schistosoma mansoni hypothetical protein 0.0519 0.6786 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0298 0.3824 0.7024
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0014 0.0024 0.0041
Echinococcus granulosus TGF beta signal transducer SmadC 0.0052 0.0532 0.0976
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0162 0.2012 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0016 0.0055 0.0055
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0014 0.0024 0.0033
Schistosoma mansoni smad1 5 8 and 0.0052 0.0532 0.0783
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0014 0.0024 0.0041
Schistosoma mansoni hypothetical protein 0.024 0.3056 0.4503
Brugia malayi hypothetical protein 0.0014 0.0032 0.0032
Brugia malayi MH2 domain containing protein 0.0757 0.9966 0.9966
Brugia malayi ecdysteroid receptor 0.003 0.0245 0.0245
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0245 0.0687
Brugia malayi nuclear hormone receptor 0.003 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0106
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3423 0.5043
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0052 0.0532 0.0976
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0245 0.0245
Brugia malayi Probable isocitrate dehydrogenase 0.002 0.0106 0.0106
Brugia malayi tailless protein 0.0014 0.0032 0.0032
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0014 0.0024 0.0041
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0012 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0245 0.0245
Schistosoma mansoni thyroid hormone receptor 0.003 0.0245 0.036
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0032 0.0058
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0014 0.0024 0.0041
Brugia malayi hypothetical protein 0.0035 0.0311 0.0311
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0245 0.0448
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0162 0.2012 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0245 0.0245
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0245 0.036
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0032 0.0032
Schistosoma mansoni tyrosine kinase 0.0014 0.0024 0.0033
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.0032 0.0058
Brugia malayi Variant SH3 domain containing protein 0.0012 0.0001 0.0001
Echinococcus granulosus tyrosine protein kinase ABL1 0.0419 0.5444 1
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.002 0.0106 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0014 0.0024 0.0041
Loa Loa (eye worm) hypothetical protein 0.0016 0.0055 0.0055
Echinococcus multilocularis isocitrate dehydrogenase 0.0162 0.2012 0.3694
Echinococcus multilocularis mothers against decapentaplegic 6 0.0023 0.0151 0.0275
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.002 0.0106 0.0193
Loa Loa (eye worm) hypothetical protein 0.0284 0.3634 0.3634
Schistosoma mansoni hypothetical protein 0.0035 0.0311 0.0456
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0245 0.0448
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0023 0.0151 0.0382
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0245 0.036
Loa Loa (eye worm) hypothetical protein 0.0023 0.0151 0.0151
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0245 0.0448
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0245 0.036
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Echinococcus granulosus tyrosine protein kinase Src64B 0.0014 0.0024 0.0041
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0045 0.0449 0.0824
Brugia malayi RNA binding protein 0.0268 0.3423 0.3423
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Brugia malayi hypothetical protein 0.0065 0.0716 0.0716
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0014 0.0024 0.0041
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.0032 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3423 0.5043
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0245 0.0448
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0162 0.2012 0.3694
Brugia malayi steroid hormone receptor 0.003 0.0245 0.0245
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3423 0.5043
Brugia malayi N-terminal motif family protein 0.02 0.2518 0.2518
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.024 0.3056 0.5613
Echinococcus granulosus smad 0.0052 0.0532 0.0976
Loa Loa (eye worm) hypothetical protein 0.0016 0.0055 0.0055
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0055 0.008
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0224
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0245 0.0245
Brugia malayi nuclear receptor NHR-67 0.0014 0.0032 0.0032
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.024 0.3056 0.3056
Echinococcus multilocularis smad 0.0052 0.0532 0.0976
Echinococcus granulosus isocitrate dehydrogenase NAD 0.002 0.0106 0.0193
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0055 0.0099
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0311 0.0569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0245 0.0245
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0311 0.0569
Brugia malayi RNA recognition motif domain containing protein 0.0268 0.3423 0.3423
Brugia malayi Tyrosine-protein kinase abl-1 0.0171 0.2126 0.2126
Schistosoma mansoni hypothetical protein 0.024 0.3056 0.4503
Schistosoma mansoni Smad4 0.0052 0.0532 0.0783
Echinococcus granulosus GPCR family 2 0.024 0.3056 0.5613
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0245 0.0448
Schistosoma mansoni hypothetical protein 0.0045 0.0449 0.0661
Onchocerca volvulus 0.003 0.0245 0.0687
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0024 0.0041
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.0032 0.0058
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0032 0.0058
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0032 0.0032
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0245 0.0448
Echinococcus granulosus mothers against decapentaplegic 6 0.0023 0.0151 0.0275
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.024 0.3056 0.5613
Echinococcus granulosus tyrosine protein kinase Lyn 0.0014 0.0024 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0245 0.0245
Loa Loa (eye worm) transcription factor SMAD2 0.0757 0.9966 0.9966
Loa Loa (eye worm) isocitrate dehydrogenase 0.0162 0.2012 0.2012
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0245 0.036
Loa Loa (eye worm) nuclear factor I 0.0029 0.0224 0.0224
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0055 0.0099
Schistosoma mansoni smad 0.0023 0.0151 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0245 0.0245
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.024 0.3056 0.5613
Schistosoma mansoni Smad4 0.0023 0.0151 0.0221
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0162 0.2012 0.3694
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0245 0.036
Schistosoma mansoni nuclear receptor 0.0014 0.0032 0.0046
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Schistosoma mansoni hypothetical protein 0.024 0.3056 0.4503
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0419 0.5444 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0023 0.0151 0.0275
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0245 0.0448
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Brugia malayi Variant SH3 domain containing protein 0.0012 0.0001 0.0001
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0162 0.2012 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.002 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0035 0.0311 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Schistosoma mansoni nuclear hormone receptor 0.003 0.0245 0.036
Loa Loa (eye worm) latrophilin receptor protein 2 0.024 0.3056 0.3056
Loa Loa (eye worm) MH2 domain-containing protein 0.0023 0.0151 0.0151
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0024 0.0041
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0268 0.3423 0.3423
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0162 0.2012 1
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0245 0.036
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.002 0.0106 0.0106
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0055 0.0055
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0045 0.0449 0.0824
Echinococcus granulosus tar DNA binding protein 0.0268 0.3423 0.6286
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0245 0.0245
Echinococcus granulosus c src tyrosine kinase 0.0014 0.0024 0.0041
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0245 0.0448
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0032 0.0058
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0162 0.2012 1
Brugia malayi MH2 domain containing protein 0.0023 0.0151 0.0151
Echinococcus granulosus Smad4 0.0052 0.0532 0.0976
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Schistosoma mansoni tyrosine kinase 0.0014 0.0024 0.0033
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0245 0.0687
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0032 0.0046
Loa Loa (eye worm) hypothetical protein 0.0016 0.0055 0.0055
Brugia malayi nuclear hormone receptor 0.0014 0.0032 0.0032
Toxoplasma gondii isocitrate dehydrogenase 0.0162 0.2012 1
Echinococcus granulosus FTZ F1 alpha 0.003 0.0245 0.0448
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0014 0.0024 0.0041
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0032 0.0032
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0014 0.0024 0.0041
Schistosoma mansoni nuclear receptor 0.0014 0.0032 0.0046
Brugia malayi Calcitonin receptor-like protein seb-1 0.076 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0014 0.0024 0.0041
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0245 0.0448
Schistosoma mansoni tyrosine kinase 0.0014 0.0024 0.0033
Brugia malayi Sex muscle abnormal protein 5 0.0012 0.0001 0.0001
Schistosoma mansoni Smad4 0.0023 0.0151 0.0221
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0245 0.0448
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.002 0.0106 0.5
Echinococcus multilocularis tar DNA binding protein 0.0268 0.3423 0.6286
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Echinococcus multilocularis GPCR, family 2 0.024 0.3056 0.5613
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0245 0.036
Schistosoma mansoni smad1 5 8 and 0.0052 0.0532 0.0783
Loa Loa (eye worm) MH1 domain-containing protein 0.0023 0.0151 0.0151
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0055 0.0055
Schistosoma mansoni tyrosine kinase 0.0413 0.5364 0.7904
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.02 0.2518 0.8027
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0055 0.0055
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0245 0.0448
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0245 0.0448
Echinococcus granulosus tyrosine protein kinase Fyn 0.0014 0.0024 0.0041
Echinococcus multilocularis c src tyrosine kinase 0.0014 0.0024 0.0041
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0014 0.0024 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0014 0.0024 0.0041
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0245 0.0245
Brugia malayi nuclear receptor RXR 0.0014 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0012 0.0001 0.0001
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.0032 0.0058
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0014 0.0024 0.0041
Loa Loa (eye worm) DR-78 0.0014 0.0032 0.0032
Onchocerca volvulus 0.0246 0.3129 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0162 0.2012 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0245 0.0245
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0245 0.0245
Brugia malayi hypothetical protein 0.0101 0.1196 0.1196
Leishmania major hypothetical protein, conserved 0.0101 0.1196 0.5717
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0032 0.0046
Loa Loa (eye worm) MH1 domain-containing protein 0.0052 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0101 0.1196 0.1196
Loa Loa (eye worm) nuclear hormone receptor 0.0282 0.3612 0.3612
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0245 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Echinococcus granulosus mothers against decapentaplegic 2 0.0023 0.0151 0.0275
Schistosoma mansoni nuclear receptor nhr-48 0.0014 0.0032 0.0046
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0032 0.0032
Brugia malayi conserved hypotetical protein 0.0014 0.0032 0.0032
Brugia malayi Pax transcription factor protein 2 0.0246 0.3129 0.3129
Echinococcus multilocularis mothers against decapentaplegic 5 0.0052 0.0532 0.0976
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0162 0.2012 0.3694
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0162 0.2012 0.3694
Brugia malayi Latrophilin receptor protein 2 0.024 0.3056 0.3056
Brugia malayi Steroid receptor seven-up type 2 0.0298 0.3824 0.3824
Loa Loa (eye worm) pax transcription factor protein 2 0.0246 0.3129 0.3129
Schistosoma mansoni tyrosine kinase 0.0014 0.0024 0.0033
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Echinococcus granulosus mothers against decapentaplegic 5 0.0052 0.0532 0.0976
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0245 0.0245
Echinococcus multilocularis tyrosine protein kinase Abl 0.0171 0.2126 0.3904
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0245 0.036
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0032 0.0032
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0032 0.0058
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0014 0.0032 0.0046
Brugia malayi Isocitrate dehydrogenase 0.0162 0.2012 0.2012
Entamoeba histolytica hypothetical protein 0.0035 0.0311 1
Brugia malayi TAR-binding protein 0.0268 0.3423 0.3423
Schistosoma mansoni unc-13 (munc13) 0.002 0.0106 0.0155
Brugia malayi MH1 domain containing protein 0.0052 0.0532 0.0532
Brugia malayi latrophilin 2 splice variant baaae 0.0519 0.6786 0.6786
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.0032 0.0058
Schistosoma mansoni zinc finger protein 0.0014 0.0032 0.0046
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0032 0.0032
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0032 0.0058
Brugia malayi nuclear receptor NHR-88 0.003 0.0245 0.0245
Loa Loa (eye worm) MH2 domain-containing protein 0.0757 0.9966 0.9966
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0245 0.0448
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0032 0.0058
Schistosoma mansoni isocitrate dehydrogenase 0.002 0.0106 0.0155
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.0032 0.0058
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0245 0.0687
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.024 0.3056 0.5613
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0032 0.0032
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.002 0.0106 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0245 0.0245
Loa Loa (eye worm) Smad1 0.0052 0.0532 0.0532
Schistosoma mansoni hypothetical protein 0.024 0.3056 0.4503
Brugia malayi SRC-1 0.0014 0.0024 0.0024
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0024 0.0041
Loa Loa (eye worm) MH2 domain-containing protein 0.0052 0.0532 0.0532
Brugia malayi MH1 domain containing protein 0.0029 0.0224 0.0224
Loa Loa (eye worm) SRC-1 0.0014 0.0024 0.0024
Schistosoma mansoni coup transcription factor 0.003 0.0245 0.036
Brugia malayi Smad1 0.0052 0.0532 0.0532
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0162 0.2012 1
Brugia malayi hypothetical protein 0.0016 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0052 0.0532 0.0783
Schistosoma mansoni tar DNA-binding protein 0.0268 0.3423 0.5043
Schistosoma mansoni smad 0.0052 0.0532 0.0783
Brugia malayi isocitrate dehydrogenase 0.0162 0.2012 0.2012
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0014 0.0032 0.0046
Schistosoma mansoni thyroid hormone receptor 0.003 0.0245 0.036
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0298 0.3824 0.7024
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0311 0.0456
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0014 0.0024 0.0041
Loa Loa (eye worm) hypothetical protein 0.02 0.2518 0.2518
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Brugia malayi nuclear receptor NHR-88 0.0014 0.0032 0.0032
Brugia malayi nuclear receptor RXR 0.0016 0.0055 0.0055
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0012 0.0001 0.0001
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0162 0.2012 0.2964
Brugia malayi MH1 domain containing protein 0.0029 0.0224 0.0224
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0162 0.2012 0.3694
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0245 0.036
Brugia malayi Tyrosine-protein kinase abl-1 0.0254 0.3239 0.3239
Loa Loa (eye worm) RNA binding protein 0.0268 0.3423 0.3423
Loa Loa (eye worm) hypothetical protein 0.0159 0.1968 0.1968
Brugia malayi mothers against decapentaplegic homolog 3 0.0023 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0519 0.6786 0.6786
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0245 0.0245
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.024 0.3056 0.3056
Loa Loa (eye worm) hypothetical protein 0.0014 0.0032 0.0032
Brugia malayi ecdysone receptor 0.0014 0.0032 0.0032
Brugia malayi MH2 domain containing protein 0.0052 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0245 0.0245
Brugia malayi hypothetical protein 0.0014 0.0032 0.0032
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0055 0.008
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0162 0.2012 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule inhibitors of human intestinal alkaline phosphatase via a luminescent assay<not set>. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2544, AID2574] ChEMBL. No reference
Potency (binding) = 11.2202 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
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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