Detailed information for compound 443339

Basic information

Technical information
  • TDR Targets ID: 443339
  • Name: (2S)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan -2-ylphenoxy)phenyl]acetyl]amino]-3-methylbut anoic acid
  • MW: 543.246 | Formula: C22H25Br2NO5
  • H donors: 3 H acceptors: 4 LogP: 5.78 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](C(=O)O)C(C)C)Cc1cc(Br)c(c(c1)Br)Oc1ccc(c(c1)C(C)C)O
  • InChi: 1S/C22H25Br2NO5/c1-11(2)15-10-14(5-6-18(15)26)30-21-16(23)7-13(8-17(21)24)9-19(27)25-20(12(3)4)22(28)29/h5-8,10-12,20,26H,9H2,1-4H3,(H,25,27)(H,28,29)/t20-/m0/s1
  • InChiKey: QDOUMGDWMBUGEC-FQEVSTJZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-3-methyl-butanoic acid
  • (2S)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl]-1-oxoethyl]amino]-3-methylbutanoic acid
  • (2S)-2-[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-yl-phenoxy)phenyl]ethanoylamino]-3-methyl-butanoic acid
  • (2S)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-3-methyl-butyric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, alpha Starlite/ChEMBL References
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853
Loa Loa (eye worm) nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_156853 All targets in OG5_156853
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, alpha 451 aa 372 aa 25.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Animal haem peroxidase family protein 0.0493 0.4892 1
Brugia malayi MH2 domain containing protein 0.0136 0.1196 0.2444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0163 0.0332
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0215 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0163 0.0332
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0163 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0163 0.0332
Loa Loa (eye worm) animal heme peroxidase 0.0493 0.4892 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0163 0.0332
Trichomonas vaginalis esterase, putative 0.0041 0.0215 0.0215
Brugia malayi hypothetical protein 0.0041 0.0214 0.0438
Echinococcus multilocularis X box binding protein 1 0.0328 0.318 0.3409
Brugia malayi beta-lactamase family protein 0.0041 0.0215 0.0439
Mycobacterium ulcerans lipase LipD 0.0041 0.0215 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0163 0.0332
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0262 0.2497 0.2483
Brugia malayi nuclear receptor NHR-88 0.0036 0.0163 0.0332
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0215 0.4437
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0162 0.0332
Schistosoma mansoni microtubule-associated protein tau 0.0785 0.7909 1
Schistosoma mansoni thyroid hormone receptor 0.0188 0.1735 0.2194
Entamoeba histolytica heat shock transcription factor, putative 0.0113 0.0958 1
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0288 0.0364
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0163 0.0206
Onchocerca volvulus Dual oxidase homolog 0.0493 0.4892 1
Mycobacterium ulcerans hypothetical protein 0.0365 0.3572 0.356
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Wolbachia endosymbiont of Brugia malayi trans-2-enoyl-ACP reductase, FabK 0.0987 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Trichomonas vaginalis cyclin A, putative 0.0048 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0048 0.0288 0.0589
Loa Loa (eye worm) hypothetical protein 0.0305 0.2945 0.602
Onchocerca volvulus 0.0493 0.4892 1
Brugia malayi beta-lactamase 0.0041 0.0215 0.0439
Trichomonas vaginalis cyclin B, putative 0.0048 0.0292 0.0292
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0163 0.0206
Brugia malayi Animal haem peroxidase family protein 0.0493 0.4892 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0162 0.0174
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0088 0.1569
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0215 0.0272
Echinococcus granulosus dna polymerase eta 0.0022 0.0018 0.0023
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0112 0.0949 0.9914
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0163 0.0332
Echinococcus multilocularis protein dispatched 1 0.0055 0.0358 0.0384
Entamoeba histolytica heat shock transcription factor, putative 0.0113 0.0958 1
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0288 0.0364
Loa Loa (eye worm) hypothetical protein 0.0059 0.04 0.0818
Schistosoma mansoni patched 1 0.0048 0.0288 0.0364
Leishmania major hypothetical protein, conserved 0.0029 0.0088 0.007
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0065 0.0461 0.0444
Brugia malayi beta-lactamase family protein 0.0041 0.0215 0.0439
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0215 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0163 0.0332
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0215 0.0197
Onchocerca volvulus 0.0048 0.0292 0.0274
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Brugia malayi Animal haem peroxidase family protein 0.0493 0.4892 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0112 0.0949 0.1018
Schistosoma mansoni hypothetical protein 0.0193 0.1785 0.2256
Giardia lamblia DINP protein human, muc B family 0.0022 0.0018 0.0625
Brugia malayi hypothetical protein 0.0493 0.4892 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0162 0.0205
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0215 0.4437
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0018 0.0023
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Leishmania major hypothetical protein, conserved 0.0041 0.0215 0.0197
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0065 0.0461 1
Brugia malayi Nuclear hormone receptor-like 1 0.0307 0.2966 0.6063
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Brugia malayi CHE-14 protein 0.0048 0.0288 0.0589
Trypanosoma cruzi cyclin, putative 0.0048 0.0292 0.6182
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0163 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0163 0.0332
Leishmania major cyclin 0.0048 0.0292 0.0274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0163 0.0332
Echinococcus multilocularis microtubule associated protein 2 0.0785 0.7909 0.8477
Brugia malayi Nuclear hormone receptor-like 1 0.0307 0.2966 0.6063
Trypanosoma brucei wee1-like protein kinase 0.0065 0.0461 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0215 0.0197
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0163 0.0206
Loa Loa (eye worm) hypothetical protein 0.0113 0.0964 0.1971
Trichomonas vaginalis cyclins, putative 0.0048 0.0292 0.0292
Giardia lamblia G2/mitotic-specific cyclin B 0.0048 0.0292 1
Onchocerca volvulus Peroxidasin homolog 0.0493 0.4892 1
Toxoplasma gondii ABC1 family protein 0.0041 0.0215 1
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0065 0.0461 1
Schistosoma mansoni hypothetical protein 0.0036 0.0162 0.0205
Schistosoma mansoni hypothetical protein 0.0046 0.027 0.0342
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0439
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0018 0.0023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Echinococcus multilocularis thyroid hormone receptor alpha 0.0188 0.1735 0.186
Echinococcus granulosus Niemann Pick C1 protein 0.016 0.1446 0.1829
Trichomonas vaginalis 2-nitropropane dioxygenase precursor, putative 0.0987 1 1
Brugia malayi HSF-type DNA-binding domain containing protein 0.0113 0.0958 0.1957
Entamoeba histolytica heat shock transcription factor, putative 0.0113 0.0958 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.1364 0.1462
Brugia malayi hypothetical protein 0.0344 0.3346 0.684
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Schistosoma mansoni peroxidasin 0.0493 0.4892 0.6185
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0163 0.0174
Brugia malayi Peroxidasin 0.0493 0.4892 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0215 0.023
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.0964 0.1971
Mycobacterium tuberculosis Possible oxidoreductase 0.0987 1 1
Onchocerca volvulus Peroxidase homolog 0.0493 0.4892 1
Schistosoma mansoni hypothetical protein 0.0046 0.027 0.0342
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0215 0.4437
Schistosoma mansoni hypothetical protein 0.0036 0.0162 0.0205
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0163 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0163 0.0332
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0083 0.017
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0163 0.0332
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0018 0.0037
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0215 0.0215
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0065 0.0461 1
Onchocerca volvulus 0.0041 0.0215 0.011
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Echinococcus multilocularis dna polymerase eta 0.0022 0.0018 0.002
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0163 0.0174
Brugia malayi Animal haem peroxidase family protein 0.0493 0.4892 1
Echinococcus granulosus microtubule associated protein 2 0.0785 0.7909 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0112 0.0949 0.1941
Echinococcus multilocularis peroxidasin 0.0493 0.4892 0.5243
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0163 0.0332
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0215 0.0215
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.1196 0.2444
Brugia malayi nuclear hormone receptor 0.0036 0.0163 0.0332
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0214 0.0271
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Echinococcus granulosus X box binding protein 1 0.0328 0.318 0.4021
Mycobacterium tuberculosis Conserved hypothetical protein 0.0365 0.3572 0.356
Trypanosoma brucei mitotic cyclin 6 0.0048 0.0292 0.6182
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0163 0.0332
Brugia malayi Blistered cuticle protein 3 0.0493 0.4892 1
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0113 0.0958 0.1681
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0163 0.0332
Loa Loa (eye worm) blistered cuticle protein 3 0.0493 0.4892 1
Loa Loa (eye worm) animal heme peroxidase 0.0493 0.4892 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0215 0.0197
Brugia malayi hypothetical protein 0.0029 0.0088 0.0179
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0162 0.0205
Brugia malayi ecdysteroid receptor 0.0036 0.0163 0.0332
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0215 0.0215
Trypanosoma cruzi cyclin 6, putative 0.0048 0.0292 0.6182
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0215 0.0197
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0922 0.933 1
Brugia malayi Nuclear hormone receptor-like 1 0.0324 0.3141 0.6421
Mycobacterium tuberculosis Conserved protein 0.0041 0.0215 0.0197
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0215 0.0197
Onchocerca volvulus Chorion peroxidase homolog 0.0493 0.4892 1
Echinococcus granulosus cyclin B 0.0048 0.0292 0.0369
Mycobacterium tuberculosis Conserved hypothetical protein 0.0365 0.3572 0.356
Mycobacterium tuberculosis Conserved protein 0.0041 0.0215 0.0197
Schistosoma mansoni thyroid hormone receptor 0.0188 0.1735 0.2194
Brugia malayi steroid hormone receptor 0.0036 0.0163 0.0332
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0088 0.1569
Trichomonas vaginalis cyclins, putative 0.0048 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0022 0.0018 0.0037
Trichomonas vaginalis cyclin B, putative 0.0048 0.0292 0.0292
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0215 0.0197
Onchocerca volvulus 0.0493 0.4892 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0439
Entamoeba histolytica hypothetical protein 0.0041 0.0214 0.2239
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0307 0.2966 0.6063
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0048 0.0292 0.0274
Trichomonas vaginalis cyclins, putative 0.0048 0.0292 0.0292
Trichomonas vaginalis cyclins, putative 0.0033 0.0134 0.0134
Brugia malayi Animal haem peroxidase family protein 0.0493 0.4892 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.0215 0.0197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0163 0.0332
Schistosoma mansoni hypothetical protein 0.0328 0.318 0.4021
Loa Loa (eye worm) hypothetical protein 0.0036 0.0162 0.0332
Echinococcus multilocularis cyclin B 0.0048 0.0292 0.0313
Loa Loa (eye worm) hypothetical protein 0.0344 0.3346 0.684
Loa Loa (eye worm) hypothetical protein 0.0078 0.0593 0.1212
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0214 0.0271
Schistosoma mansoni hypothetical protein 0.0041 0.0214 0.0271
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0163 0.0332
Brugia malayi Cyclin, N-terminal domain containing protein 0.0048 0.0292 0.0597
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0163 0.0206
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0163 0.0206
Trichomonas vaginalis cyclins, putative 0.0048 0.0292 0.0292
Schistosoma mansoni hypothetical protein 0.0036 0.0162 0.0205
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0439
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0215 1
Echinococcus multilocularis Niemann Pick C1 protein 0.016 0.1446 0.155
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0163 0.0206
Echinococcus multilocularis GPCR, family 2 0.0036 0.0162 0.0174
Mycobacterium leprae Probable lipase LipE 0.0041 0.0215 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0163 0.0174
Onchocerca volvulus 0.0344 0.3346 0.6732
Loa Loa (eye worm) hypothetical protein 0.0029 0.0088 0.0179
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0958 0.1957
Loa Loa (eye worm) beta-lactamase 0.0041 0.0215 0.0439
Trichomonas vaginalis cyclin B, putative 0.0048 0.0292 0.0292
Entamoeba histolytica hypothetical protein 0.0041 0.0214 0.2239
Loa Loa (eye worm) hypothetical protein 0.0048 0.0292 0.0597
Echinococcus granulosus expressed conserved protein 0.0105 0.0879 0.1112
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0215 0.0272
Onchocerca volvulus Peroxidase homolog 0.0493 0.4892 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0163 0.0206
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0018 0.0191
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0163 0.0206
Trypanosoma cruzi cyclin, putative 0.0048 0.0292 0.6182
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0288 0.0589
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0163 0.0206
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0018 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0163 0.0332
Loa Loa (eye worm) hypothetical protein 0.0112 0.0949 0.1941
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.0964 0.1971
Trypanosoma cruzi CYC2-like cyclin, putative 0.0048 0.0292 0.6182
Echinococcus granulosus Niemann Pick C1 protein 0.0112 0.0949 0.12
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.0964 0.1971
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0288 0.0309
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0215 0.0197
Entamoeba histolytica hypothetical protein 0.0041 0.0214 0.2239
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0018 0.0018
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0114 0.0967 0.1223
Loa Loa (eye worm) animal heme peroxidase 0.0493 0.4892 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0163 0.0206
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0163 0.0174
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0163 0.0174
Onchocerca volvulus 0.0493 0.4892 1
Schistosoma mansoni hypothetical protein 0.0152 0.1364 0.1724
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0018 0.0037
Mycobacterium ulcerans hypothetical protein 0.0365 0.3572 0.356
Echinococcus granulosus peroxidasin 0.0493 0.4892 0.6185
Echinococcus multilocularis protein patched 0.0048 0.0288 0.0309
Schistosoma mansoni hypothetical protein 0.0036 0.0162 0.0205
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0163 0.0206
Mycobacterium ulcerans hypothetical protein 0.0987 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0214 0.023
Mycobacterium tuberculosis Conserved protein 0.0365 0.3572 0.356
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0163 0.0332
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0065 0.0461 0.0444
Echinococcus granulosus GPCR family 2 0.0036 0.0162 0.0205
Mycobacterium ulcerans 2-nitropropane dioxygenase 0.0987 1 1
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0162 0.0332
Echinococcus multilocularis geminin 0.0193 0.1785 0.1913
Schistosoma mansoni hypothetical protein 0.0046 0.027 0.0342
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0215 0.0272
Schistosoma mansoni hypothetical protein 0.0078 0.0593 0.075
Schistosoma mansoni hypothetical protein 0.0046 0.027 0.0342
Echinococcus granulosus dna polymerase kappa 0.0022 0.0018 0.0023
Onchocerca volvulus 0.0041 0.0215 0.011
Entamoeba histolytica hypothetical protein 0.0041 0.0214 0.2239
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0215 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0048 0.0292 0.0597
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Loa Loa (eye worm) animal heme peroxidase 0.0493 0.4892 1
Echinococcus granulosus geminin 0.0193 0.1785 0.2256
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0163 0.0174
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0215 0.0215
Mycobacterium ulcerans beta-lactamase 0.0041 0.0215 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0163 0.0332
Schistosoma mansoni cyclin B 0.0048 0.0292 0.0369
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0439
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0088 0.1569
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0018 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0163 0.0332
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0163 0.0332
Schistosoma mansoni peroxidasin 0.0493 0.4892 0.6185
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0163 0.0206
Brugia malayi latrophilin 2 splice variant baaae 0.0078 0.0593 0.1212
Onchocerca volvulus 0.0041 0.0215 0.011
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0018 0.002
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0163 0.0332
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0088 1
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0163 0.0206
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0215 0.0439
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0332
Entamoeba histolytica cyclin, putative 0.0048 0.0292 0.305
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0439
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0439
Trichomonas vaginalis cyclin B, putative 0.0048 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0162 0.0332
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0163 0.0206
Loa Loa (eye worm) hypothetical protein 0.0048 0.0292 0.0597
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0215 0.0439
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.0163 0.0206
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0018 0.002
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.1364 0.1724
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0163 0.0332
Mycobacterium tuberculosis Conserved protein 0.0041 0.0215 0.0197
Echinococcus multilocularis expressed conserved protein 0.0105 0.0879 0.0942
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0163 0.0206
Loa Loa (eye worm) hypothetical protein 0.0493 0.4892 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0163 0.0206
Schistosoma mansoni coup transcription factor 0.0036 0.0163 0.0206
Onchocerca volvulus Peroxidasin homolog 0.0493 0.4892 1
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0215 0.0197
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0088 1
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0163 0.0206
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.1196 0.2444
Schistosoma mansoni DNA polymerase eta 0.0022 0.0018 0.0023
Mycobacterium tuberculosis Possible alanine rich oxidoreductase 0.0987 1 1
Schistosoma mansoni hypothetical protein 0.0193 0.1785 0.2256

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 78 % Activity against TRAFalpha1 expressed in CHOK1 cells by alkaline phosphatase reporter gene assay ChEMBL. 17543524
Activity (binding) = 92 % Activity against TRAFbeta expressed in CHOK1 cells by alkaline phosphatse reporter gene assay ChEMBL. 17543524
EC50 (binding) = 0.77 nM Activity against TRAFbeta expressed in CHOK1 cells by alkaline phosphatse reporter gene assay ChEMBL. 17543524
EC50 (binding) = 1.4 nM Activity against TRAFalpha1 expressed in CHOK1 cells by alkaline phosphatase reporter gene assay ChEMBL. 17543524
ED15 (functional) = 1580 nmol/kg/day Increase in heart rate in po dosed cholesterol-fed rat ChEMBL. 17543524
ED30 (functional) = 242 nmol/kg/day Decrease in TSH in po dosed cholesterol-fed rat ChEMBL. 17543524
ED50 (functional) = 82 nmol/kg/day Decrease in cholesterol in po dosed cholesterol-fed rat ChEMBL. 17543524
IC50 (binding) = 0.27 nM Binding affinity at human thyroid hormone receptor beta1 expressed in CHOK1 cells ChEMBL. 17543524
IC50 (binding) = 0.27 nM Binding affinity at human thyroid hormone receptor beta1 expressed in CHOK1 cells ChEMBL. 17543524
IC50 (binding) = 4.3 nM Binding affinity at human thyroid hormone receptor alpha 1 expressed in CHOK1 cells ChEMBL. 17543524
IC50 (binding) = 4.3 nM Binding affinity at human thyroid hormone receptor alpha 1 expressed in CHOK1 cells ChEMBL. 17543524
Ratio (functional) = 3 Ratio of ED30 for TSH in cholesterol-fed rat to ED50 for cholesterol level in cholesterol-fed rat ChEMBL. 17543524
Ratio (functional) = 19 Ratio of ED15 for heart rate in cholesterol-fed rat to ED50 for cholesterol level in cholesterol-fed rat ChEMBL. 17543524
Ratio IC50 (binding) = 9.4 Selectivity ratio of IC50 for thyroid hormone receptor alpha1 to IC50 for thyroid hormone receptor beta1 ChEMBL. 17543524

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

1 literature reference was collected for this gene.

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