Detailed information for compound 1499789

Basic information

Technical information
  • TDR Targets ID: 1499789
  • Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoe thyl] 4-oxo-4-thiophen-2-ylbutanoate
  • MW: 405.465 | Formula: C20H23NO6S
  • H donors: 1 H acceptors: 3 LogP: 2.62 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)COC(=O)CCC(=O)c2cccs2)ccc1OC
  • InChi: 1S/C20H23NO6S/c1-25-16-7-5-14(12-17(16)26-2)9-10-21-19(23)13-27-20(24)8-6-15(22)18-4-3-11-28-18/h3-5,7,11-12H,6,8-10,13H2,1-2H3,(H,21,23)
  • InChiKey: SRTHDQISJRFGTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate
  • 4-oxo-4-(2-thienyl)butanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester
  • 4-keto-4-(2-thienyl)butyric acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-keto-ethyl] ester
  • [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-oxo-4-thiophen-2-yl-butanoate
  • ZINC04985989
  • T0509-6355

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0051 0.0259 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0247 0.0659
Echinococcus granulosus tar DNA binding protein 0.0073 0.049 0.0899
Brugia malayi nuclear receptor NHR-88 0.005 0.0247 0.0659
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0058 0.0107
Echinococcus multilocularis expressed conserved protein 0.0098 0.0756 0.0756
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0305 0.0561
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Schistosoma mansoni transcription factor LCR-F1 0.0116 0.0939 0.1726
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0026 0.0001 0.0003
Schistosoma mansoni thyroid hormone receptor 0.005 0.0247 0.0454
Loa Loa (eye worm) hypothetical protein 0.013 0.1091 0.2906
Loa Loa (eye worm) hypothetical protein 0.0029 0.003 0.0079
Loa Loa (eye worm) isocitrate dehydrogenase 0.0051 0.0259 0.0689
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0001 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-41 0.005 0.0247 0.0659
Echinococcus granulosus retinoic acid receptor rxr beta a 0.005 0.0247 0.0454
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0259 0.5
Brugia malayi Steroid receptor seven-up type 2 0.005 0.0247 0.0659
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.049 0.1304
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0029 0.003 0.0055
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.005 0.0247 0.0247
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.005 0.0247 0.0247
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.0247 0.0659
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0305 0.0561
Echinococcus granulosus shaker cognate 0.0029 0.003 0.0055
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0259 0.0259
Schistosoma mansoni retinoic acid receptor RXR 0.005 0.0247 0.0454
Schistosoma mansoni nuclear hormone receptor 0.005 0.0247 0.0454
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0196 0.0361
Schistosoma mansoni coup transcription factor 0.005 0.0247 0.0454
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.033
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Schistosoma mansoni thyroid hormone receptor 0.005 0.0247 0.0454
Brugia malayi Nuclear hormone receptor family member nhr-14 0.005 0.0247 0.0659
Brugia malayi Pre-SET motif family protein 0.0221 0.2045 0.5448
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0051 0.0259 0.0259
Loa Loa (eye worm) MH2 domain-containing protein 0.0384 0.3753 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.0823 0.8737
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0058 0.0107
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0018 0.0006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0259 0.0259
Loa Loa (eye worm) transcription factor SMAD2 0.0384 0.3753 1
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.003 0.0055
Echinococcus multilocularis geminin 0.0545 0.5442 0.5442
Brugia malayi hypothetical protein 0.0116 0.0939 0.2503
Echinococcus multilocularis tar DNA binding protein 0.0073 0.049 0.049
Entamoeba histolytica hypothetical protein 0.0116 0.0939 1
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0029 0.003 0.0055
Echinococcus multilocularis protein dispatched 1 0.0051 0.0263 0.0263
Brugia malayi isocitrate dehydrogenase 0.0051 0.0259 0.0689
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0305 0.0561
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0116 0.0939 0.0939
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.003 0.0055
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.049 0.1304
Brugia malayi Isocitrate dehydrogenase 0.0051 0.0259 0.0689
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0026 0.0001 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0305 0.0305
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0029 0.003 0.0079
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0116 0.0939 0.1726
Brugia malayi RNA binding protein 0.0073 0.049 0.1304
Loa Loa (eye worm) hypothetical protein 0.0055 0.0302 0.0806
Brugia malayi MH2 domain containing protein 0.0384 0.3753 1
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0196 0.0361
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0247 0.0454
Brugia malayi nuclear receptor RXR 0.0026 0.0001 0.0003
Echinococcus multilocularis X box binding protein 1 0.0306 0.2936 0.2936
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0051 0.0259 0.0475
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0247 0.0247
Brugia malayi steroid hormone receptor 0.005 0.0247 0.0659
Schistosoma mansoni voltage-gated potassium channel 0.0356 0.3463 0.6363
Brugia malayi Pre-SET motif family protein 0.0032 0.0058 0.0155
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.005 0.0247 0.0454
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.005 0.0247 0.0454
Echinococcus granulosus potassium voltage gated channel protein 0.0029 0.003 0.0055
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0029 0.003 0.0055
Loa Loa (eye worm) hypothetical protein 0.0105 0.0823 0.2192
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0029 0.003 0.003
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0029 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0116 0.0939 0.1726
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.005 0.0247 0.0659
Brugia malayi ecdysteroid receptor 0.005 0.0247 0.0659
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.2577 0.4736
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.2577 0.2577
Trichomonas vaginalis MYB, putative 0.0028 0.0018 0.0006
Echinococcus multilocularis potassium voltage gated channel protein 0.0029 0.003 0.003
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.005 0.0247 0.0454
Echinococcus granulosus potassium voltage gated channel protein 0.0356 0.3463 0.6363
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0001 0.0003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0305 0.0813
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0051 0.0259 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.033
Loa Loa (eye worm) hypothetical protein 0.0026 0.0001 0.0003
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.005 0.0247 0.0454
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0046 0.0085
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.084 0.1543
Schistosoma mansoni tar DNA-binding protein 0.0073 0.049 0.0899
Schistosoma mansoni steroid hormone receptor ad4bp 0.005 0.0247 0.0454
Schistosoma mansoni Tr4/Tr2 (homologue) 0.005 0.0247 0.0454
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0259 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0196 0.0523
Schistosoma mansoni voltage-gated potassium channel 0.0356 0.3463 0.6363
Echinococcus multilocularis shaker cognate 0.0029 0.003 0.003
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.0867 0.8822 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.049 0.0899
Echinococcus granulosus potassium voltage gated channel protein 0.0029 0.003 0.0055
Echinococcus granulosus ecdysone induced protein 78C 0.005 0.0247 0.0454
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0259 0.0259
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.0823 0.1512
Echinococcus multilocularis voltage gated potassium channel 0.0029 0.003 0.003
Schistosoma mansoni retinoid-x-receptor (RXR) 0.005 0.0247 0.0454
Schistosoma mansoni tar DNA-binding protein 0.0073 0.049 0.0899
Echinococcus granulosus X box binding protein 1 0.0306 0.2936 0.5395
Schistosoma mansoni hypothetical protein 0.0545 0.5442 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0001 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.005 0.0247 0.0659
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0058 0.0107
Mycobacterium ulcerans proteasome PrcA 0.0867 0.8822 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0251 0.0668
Loa Loa (eye worm) hypothetical protein 0.013 0.1091 0.2906
Loa Loa (eye worm) hypothetical protein 0.0026 0.0001 0.0003
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0029 0.003 0.0055
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0341 0.33 0.33
Loa Loa (eye worm) steroid hormone receptor 0.005 0.0247 0.0659
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.005 0.0247 0.0819
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.0823 0.0823
Echinococcus multilocularis potassium voltage gated channel protein 0.0029 0.003 0.003
Brugia malayi CHE-14 protein 0.0045 0.0196 0.0523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.005 0.0247 0.0659
Loa Loa (eye worm) hypothetical protein 0.0026 0.0001 0.0003
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.005 0.0247 0.0454
Loa Loa (eye worm) hypothetical protein 0.0026 0.0001 0.0003
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.003 0.0055
Echinococcus multilocularis ecdysone induced protein 78C 0.005 0.0247 0.0247
Echinococcus granulosus Niemann Pick C1 protein 0.0149 0.1294 0.2377
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.005 0.0247 0.0454
Entamoeba histolytica hypothetical protein 0.0116 0.0939 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0196 0.0523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.005 0.0247 0.0659
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.003 0.0055
Onchocerca volvulus Protein ultraspiracle homolog 0.005 0.0247 0.0819
Schistosoma mansoni hypothetical protein 0.0306 0.2936 0.5395
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0247 0.0659
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.005 0.0247 0.0659
Loa Loa (eye worm) hypothetical protein 0.0026 0.0001 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0073 0.049 0.0899
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0305 0.0813
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0029 0.003 0.0079
Brugia malayi TAR-binding protein 0.0073 0.049 0.1304
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0018 0.0006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.005 0.0247 0.0247
Echinococcus granulosus FTZ F1 alpha 0.005 0.0247 0.0454
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.005 0.0247 0.0247
Brugia malayi Nuclear hormone receptor family member nhr-1 0.005 0.0247 0.0659
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0058 0.0107
Echinococcus multilocularis FTZ F1 alpha 0.005 0.0247 0.0247
Onchocerca volvulus Huntingtin homolog 0.013 0.1091 0.4476
Brugia malayi Nuclear hormone receptor family member nhr-31 0.005 0.0247 0.0659
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0305 0.0561
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.003 0.0055
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0051 0.0259 0.0475
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0196 0.0767
Onchocerca volvulus 0.0252 0.2365 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0051 0.0259 1
Giardia lamblia Myb 1-like protein 0.0028 0.0018 0.5
Schistosoma mansoni patched 1 0.0045 0.0196 0.0361
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0051 0.0259 0.5
Loa Loa (eye worm) RNA binding protein 0.0073 0.049 0.1304
Onchocerca volvulus 0.0055 0.0307 0.1079
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0867 0.8822 1
Brugia malayi nuclear hormone receptor 0.005 0.0247 0.0659
Loa Loa (eye worm) hypothetical protein 0.005 0.0251 0.0668
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.005 0.0247 0.0454
Schistosoma mansoni hypothetical protein 0.0055 0.0307 0.0565
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0247 0.0454
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0026 0.0001 0.0001
Brugia malayi photoreceptor-specific nuclear receptor 0.005 0.0247 0.0659
Entamoeba histolytica hypothetical protein 0.0116 0.0939 1
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.033
Echinococcus multilocularis potassium voltage gated channel protein 0.0356 0.3463 0.3463
Brugia malayi Nuclear hormone receptor family member nhr-3 0.005 0.0247 0.0659
Echinococcus multilocularis protein patched 0.0045 0.0196 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-40 0.005 0.0247 0.0659
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0196 0.0196
Loa Loa (eye worm) TAR-binding protein 0.0073 0.049 0.1304
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0307 0.0819
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0259 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.049 0.0899
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0247 0.0247
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.005 0.0247 0.0659
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.005 0.0247 0.0659
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0251 0.0668
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.2045 0.5448
Loa Loa (eye worm) voltage-gated potassium channel 0.0029 0.003 0.0079
Echinococcus multilocularis thyroid hormone receptor alpha 0.005 0.0247 0.0247
Echinococcus multilocularis transfer RNA-Gly 0.0029 0.003 0.003
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0026 0.0001 0.0002
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0356 0.3463 0.6363
Echinococcus granulosus geminin 0.0545 0.5442 1
Onchocerca volvulus Huntingtin homolog 0.013 0.1091 0.4476
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0247 0.0659
Entamoeba histolytica hypothetical protein 0.0116 0.0939 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0247 0.0659
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0058 0.0058
Brugia malayi hypothetical protein 0.013 0.1091 0.2906
Loa Loa (eye worm) hypothetical protein 0.0356 0.3463 0.9227
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.003 0.0055
Schistosoma mansoni survival motor neuron protein 0.0055 0.0307 0.0565
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0085 0.0225
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0251 0.0668
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0247 0.0659
Loa Loa (eye worm) hypothetical protein 0.0034 0.0085 0.0225
Echinococcus multilocularis Niemann Pick C1 protein 0.0149 0.1294 0.1294
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0259 1
Onchocerca volvulus Bile acid receptor homolog 0.005 0.0247 0.0819
Echinococcus multilocularis isocitrate dehydrogenase 0.0051 0.0259 0.0259
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.005 0.0247 0.0454
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.033
Schistosoma mansoni RAR-like nuclear receptor 0.005 0.0247 0.0454
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0356 0.3463 0.9227
Echinococcus granulosus voltage gated potassium channel 0.0029 0.003 0.0055
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.0823 0.2192
Echinococcus granulosus expressed conserved protein 0.0098 0.0756 0.1389
Loa Loa (eye worm) hypothetical protein 0.0032 0.0058 0.0155
Schistosoma mansoni hypothetical protein 0.0545 0.5442 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0259 0.5
Schistosoma mansoni vesicular amine transporter 0.0029 0.003 0.0055
Brugia malayi hypothetical protein 0.0026 0.0001 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0305 0.0561
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0247 0.0659
Schistosoma mansoni hypothetical protein 0.0034 0.0085 0.0155
Loa Loa (eye worm) hypothetical protein 0.0272 0.2577 0.6867
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0058 0.0107
Brugia malayi hypothetical protein 0.0272 0.2577 0.6867
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0029 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-49 0.005 0.0247 0.0659
Trichomonas vaginalis set domain proteins, putative 0.0252 0.2365 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0363 0.3536 0.6496
Onchocerca volvulus 0.005 0.0247 0.0819
Brugia malayi hypothetical protein 0.0026 0.0001 0.0003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0247 0.0659
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0305 0.0305
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0058 0.1689

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 89.1251 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.