Detailed information for compound 337654

Basic information

Technical information
  • TDR Targets ID: 337654
  • Name: 3-[3,5-dibromo-4-(3-methylbutoxy)phenyl]propa noic acid
  • MW: 394.099 | Formula: C14H18Br2O3
  • H donors: 1 H acceptors: 2 LogP: 4.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCOc1c(Br)cc(cc1Br)CCC(=O)O)C
  • InChi: 1S/C14H18Br2O3/c1-9(2)5-6-19-14-11(15)7-10(8-12(14)16)3-4-13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
  • InChiKey: ODAODKMSZRASPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,5-dibromo-4-isopentyloxy-phenyl)propanoic acid
  • 3-(3,5-dibromo-4-isopentyloxyphenyl)propanoic acid
  • 3-(3,5-dibromo-4-isoamoxy-phenyl)propionic acid

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_156853 All targets in OG5_156853
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative 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 Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) 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 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
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 thyroid hormone receptor 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
Brugia malayi Nuclear hormone receptor-like 1 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, alpha 451 aa 372 aa 25.3 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) cysteine protease 0.0017 0.0054 0.0072
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0299 0.0664
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0749 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0247 0.0247
Brugia malayi nuclear hormone receptor family member nhr-6 0.0016 0.0044 0.0099
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0054 0.0072
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.0311 0.0691
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0311 0.0691
Brugia malayi nuclear hormone receptor family member odr-7 0.0016 0.0044 0.0099
Echinococcus multilocularis pyruvate kinase 0.0017 0.0059 0.0059
Plasmodium falciparum cysteine repeat modular protein 1 0.0015 0.0023 0.0637
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0016 0.0044 0.0044
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0749 1
Schistosoma mansoni nuclear receptor 0.0016 0.0044 0.0044
Brugia malayi ecdysone receptor 0.0016 0.0044 0.0099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.0311 0.0678
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.0311 0.0311
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.0311 0.0311
Onchocerca volvulus 0.0017 0.0054 0.0093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Brugia malayi hypothetical protein 0.0016 0.0044 0.0099
Loa Loa (eye worm) DR-78 0.0016 0.0044 0.005
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0015 0.0023 0.0637
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Trypanosoma cruzi hypothetical protein, conserved 0.0015 0.0023 0.0311
Echinococcus multilocularis pyruvate kinase 0.0017 0.0059 0.0059
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0152 0.5074
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0035 0.0311 0.0876
Echinococcus granulosus pyruvate kinase 0.0034 0.0299 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0311 0.0691
Onchocerca volvulus Protein ultraspiracle homolog 0.0035 0.0311 0.0876
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0054 0.0054
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0073 0.0073
Loa Loa (eye worm) glutathione reductase 0.0038 0.0365 0.0806
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.1223 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0306 0.4264 1
Schistosoma mansoni thyroid hormone receptor 0.0187 0.2524 0.2524
Echinococcus multilocularis pyruvate kinase 0.0034 0.0299 0.0299
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0152 0.5074
Brugia malayi hypothetical protein 0.0018 0.0073 0.0162
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0044 0.0099
Schistosoma mansoni zinc finger protein 0.0016 0.0044 0.0044
Echinococcus multilocularis pyruvate kinase 0.0017 0.0059 0.0059
Toxoplasma gondii thioredoxin reductase 0.0038 0.0365 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0034 0.0299 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.0311 0.0691
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.2019 0.2019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0299 0.8192
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0035 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0015 0.0023 0.0023
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0373 0.0373
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0299 0.0651
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0054 0.0054
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0044 0.0044
Plasmodium falciparum glutathione reductase 0.0038 0.0365 1
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0152 0.2027
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.1081 0.8837
Onchocerca volvulus 0.0017 0.0054 0.0093
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Echinococcus granulosus tissue type plasminogen activator 0.0015 0.0023 0.0023
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0299 1
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0044 0.0044
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0044 0.0099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Leishmania major hypothetical protein, conserved 0.0015 0.0023 0.0311
Onchocerca volvulus Bile acid receptor homolog 0.0035 0.0311 0.0876
Loa Loa (eye worm) fibroinase 0.0017 0.0054 0.0072
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0547 0.7306
Schistosoma mansoni nuclear receptor 0.0016 0.0044 0.0044
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0059 0.1624
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0299 0.1375
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0054 0.0054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Brugia malayi Kringle domain containing protein 0.0015 0.0023 0.0052
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0152 0.4157
Loa Loa (eye worm) hypothetical protein 0.0024 0.015 0.0299
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.1035 0.1035
Onchocerca volvulus 0.0035 0.0311 0.0876
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0054 0.0093
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.0311 0.0311
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0299 0.3995
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Onchocerca volvulus 0.0017 0.0054 0.0093
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0035 0.0311 0.0311
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.0311 0.0311
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0059 0.1624
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0311 0.0311
Brugia malayi Protein kinase domain containing protein 0.0015 0.0023 0.0052
Brugia malayi steroid hormone receptor 0.0035 0.0311 0.0691
Leishmania major cathepsin L-like protease 0.0017 0.0054 0.0717
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0311 0.0311
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0667 0.8908
Brugia malayi glutathione reductase 0.0038 0.0365 0.0811
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0247
Schistosoma mansoni retinoic acid receptor RXR 0.0035 0.0311 0.0311
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0311 0.0311
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0054 0.0072
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0365 0.2985
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Giardia lamblia Pyruvate kinase 0.0017 0.0059 0.1982
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0054 0.0054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0054 0.1471
Brugia malayi Pre-SET motif family protein 0.0211 0.2881 0.6399
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0311 0.0311
Echinococcus multilocularis nuclear receptor nhr 48 0.0016 0.0044 0.0044
Trichomonas vaginalis set domain proteins, putative 0.024 0.3305 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0299 0.3995
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0299 0.3995
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Brugia malayi nuclear receptor RXR 0.0018 0.0073 0.0162
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0016 0.0044 0.0044
Brugia malayi nuclear receptor NHR-88 0.0016 0.0044 0.0099
Echinococcus multilocularis pyruvate kinase 0.0027 0.0195 0.0195
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Chlamydia trachomatis pyruvate kinase 0.0034 0.0299 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0152 0.4157
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0054 0.1471
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0044 0.0044
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0016 0.0044 0.0044
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0054 0.0054
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.1081 0.8837
Plasmodium vivax vivapain-2 0.0017 0.0054 0.1471
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0299 0.8192
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0054 0.0162
Loa Loa (eye worm) nuclear hormone receptor 0.0016 0.0044 0.005
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0054 0.0054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0054 0.0054
Onchocerca volvulus 0.0016 0.0044 0.0064
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0088 0.1081 0.8672
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0311 0.0691
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Loa Loa (eye worm) hypothetical protein 0.0018 0.0073 0.0117
Echinococcus multilocularis thyroid hormone receptor alpha 0.0187 0.2524 0.2524
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.0311 0.0678
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Brugia malayi orphan nuclear receptor NR2E1 0.0016 0.0044 0.0099
Brugia malayi hypothetical protein 0.0016 0.0044 0.0099
Echinococcus multilocularis microtubule associated protein 2 0.07 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0365 1
Onchocerca volvulus 0.0017 0.0054 0.0093
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0018 0.0073 0.0117
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Plasmodium falciparum thioredoxin reductase 0.0038 0.0365 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0152 1
Brugia malayi hypothetical protein 0.0018 0.0073 0.0162
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0299 0.0841
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0119
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.2019 0.2019
Onchocerca volvulus 0.0016 0.0044 0.0064
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0016 0.0044 0.0044
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.0311 0.0691
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.0311 0.0311
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.0311 0.0691
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0311 0.0691
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.1035 0.1035
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0054 0.0162
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0152 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.1223 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0119
Onchocerca volvulus 0.0017 0.0054 0.0093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0044 0.0044
Brugia malayi conserved hypotetical protein 0.0016 0.0044 0.0099
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.0311 0.0311
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0152 0.4157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.0311 0.0678
Schistosoma mansoni pyruvate kinase 0.0034 0.0299 0.0299
Leishmania major cathepsin L-like protease 0.0017 0.0054 0.0717
Leishmania major cathepsin L-like protease 0.0017 0.0054 0.0717
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0054 0.0717
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0018 0.0073 0.0117
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.0311 0.0678
Schistosoma mansoni microtubule-associated protein tau 0.07 1 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0059 0.0059
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.1223 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0059 0.1624
Brugia malayi nuclear receptor NHR-67 0.0016 0.0044 0.0099
Onchocerca volvulus 0.0017 0.0054 0.0093
Leishmania major cathepsin L-like protease 0.0017 0.0054 0.0717
Plasmodium vivax SET domain protein, putative 0.003 0.0247 0.6773
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.1081 0.8837
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0119
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.015 0.0299
Brugia malayi ecdysteroid receptor 0.0035 0.0311 0.0691
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.1035 0.2298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0247
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.0311 0.0691
Plasmodium vivax vivapain-2 0.0017 0.0054 0.1471
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0247 0.6773
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0044 0.0064
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0311 0.0691
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Trypanosoma brucei trypanothione reductase 0.0038 0.0365 0.4877
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.0311 0.0311
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.0749 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.0311 0.0691
Onchocerca volvulus 0.0084 0.1035 0.3081
Brugia malayi nuclear receptor NHR-88 0.0035 0.0311 0.0691
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0054 0.0093
Toxoplasma gondii cathepsin CPL 0.0017 0.0054 0.1471
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus granulosus nuclear receptor nhr 48 0.0016 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Brugia malayi Thioredoxin reductase 0.0038 0.0365 0.0811
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus multilocularis FTZ F1 alpha 0.0035 0.0311 0.0311
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0044 0.0044
Brugia malayi tailless protein 0.0016 0.0044 0.0099
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.1035 0.1035
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.0311 0.0691
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0311 0.0691
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.015 0.9821
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0054 0.0717
Onchocerca volvulus 0.003 0.0247 0.0683
Leishmania major pyruvate kinase 0.0034 0.0299 0.3995
Loa Loa (eye worm) hypothetical protein 0.003 0.0247 0.0528
Echinococcus granulosus FTZ F1 alpha 0.0035 0.0311 0.0311
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0247 0.0247
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0365 0.4877
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0247 0.0247
Loa Loa (eye worm) nuclear receptor NHR-67 0.0016 0.0044 0.005
Brugia malayi Nuclear hormone receptor-like 1 0.0323 0.4502 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0247
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.0311 0.0678
Echinococcus multilocularis cysteine protease 0.0017 0.0054 0.0054
Giardia lamblia Pyruvate kinase 0.0034 0.0299 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.1081 0.8837
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0299 0.0664
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0035 0.0311 0.0311
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0152 0.1241
Mycobacterium tuberculosis Probable reductase 0.0088 0.1081 0.8837
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.2881 0.6738
Schistosoma mansoni thyroid hormone receptor 0.0187 0.2524 0.2524
Brugia malayi nuclear hormone receptor 0.0016 0.0044 0.0099
Entamoeba histolytica hypothetical protein 0.0024 0.0152 1
Brugia malayi nuclear receptor RXR 0.0016 0.0044 0.0099
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.0311 0.0311
Brugia malayi Nuclear hormone receptor-like 1 0.0306 0.4264 0.9471
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0054 0.0093
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0152 0.4157
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0299 0.0651
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0073 0.0117
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.0311 0.0311
Brugia malayi nuclear hormone receptor 0.0035 0.0311 0.0691
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0016 0.0044 0.0044
Leishmania major cathepsin L-like protease 0.0017 0.0054 0.0717
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0299 0.3995
Leishmania major pyruvate kinase 0.0034 0.0299 0.3995
Schistosoma mansoni pyruvate kinase 0.0017 0.0059 0.0059
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0247 0.0247
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0299 0.0651
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0035 0.0311 0.0311
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0299 0.0905
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0054 0.0119
Echinococcus granulosus thyroid hormone receptor alpha 0.0016 0.0044 0.0044
Plasmodium vivax glutathione reductase, putative 0.0038 0.0365 1
Brugia malayi Pre-SET motif family protein 0.003 0.0247 0.0549
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus multilocularis pyruvate kinase 0.0034 0.0299 0.0299
Leishmania major cathepsin L-like protease 0.0065 0.0749 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0035 0.0311 0.0311
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0016 0.0044 0.0099
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0749 1
Echinococcus multilocularis cysteine protease 0.0017 0.0054 0.0054
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0299 0.0905
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Schistosoma mansoni coup transcription factor 0.0035 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0152 0.2027
Echinococcus granulosus pyruvate kinase 0.0017 0.0059 0.0059
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0678
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.0311 0.0678
Echinococcus granulosus cathepsin l1 0.0017 0.0054 0.0054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Leishmania major trypanothione reductase 0.0038 0.0365 0.4877
Loa Loa (eye worm) hypothetical protein 0.0017 0.0054 0.0072
Brugia malayi Nuclear hormone receptor-like 1 0.0306 0.4264 0.9471
Onchocerca volvulus 0.0017 0.0054 0.0093
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.0311 0.0311
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0044 0.0064
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.0311 0.0678
Loa Loa (eye worm) hypothetical protein 0.0084 0.1035 0.2385
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0044 0.0044
Leishmania major cathepsin L-like protease 0.0065 0.0749 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0119
Schistosoma mansoni nuclear receptor nhr-48 0.0016 0.0044 0.0044
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0299 0.2445
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.1081 0.8837
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus multilocularis tissue type plasminogen activator 0.0015 0.0023 0.0023
Loa Loa (eye worm) ctsf protein 0.0017 0.0054 0.0072
Leishmania major cathepsin L-like protease 0.0065 0.0749 1
Toxoplasma gondii kringle domain-containing protein 0.0015 0.0023 0.0637
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0119
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0016 0.0044 0.005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.0311 0.0691
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0073 0.0073
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0311 0.0311
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0299 0.0841
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0365 0.0806
Loa Loa (eye worm) hypothetical protein 0.0018 0.0073 0.0117
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0152 0.5074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0311 0.0311
Onchocerca volvulus 0.024 0.3305 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0373 0.0373
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.1223 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.4235 0.9933
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.005
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0073 0.0073
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0749 1
Echinococcus granulosus pyruvate kinase 0.0034 0.0299 0.0299
Plasmodium falciparum pyruvate kinase 0.0034 0.0299 0.8192
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0054 0.0162
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0299 0.0841
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0119
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0231 0.0231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.0311 0.0678
Schistosoma mansoni hypothetical protein 0.0152 0.2019 0.2019
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.0311 0.0691
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0073 0.0073
Schistosoma mansoni pyruvate kinase 0.0034 0.0299 0.0299
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.0311 0.0311
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0054 0.1471

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.36 Inhibition of thyroid hormone receptor alpha (unknown origin) ChEMBL. 17467994
IC50 (binding) = 5.74 Inhibition of human thyroid hormone receptor beta 1 ChEMBL. 17524652
IC50 (binding) = 5.74 Inhibition of thyroid hormone receptor beta (unknown origin) ChEMBL. 17467994
IC50 (binding) uM Inhibitory activity of the compound against human TRAFbeta; Not tested ChEMBL. 15857115
IC50 (binding) uM Inhibitory activity of the compound against human TRAFalpha; Not tested ChEMBL. 15857115
IC50 (binding) 0 uM Inhibitory activity of the compound against human TRAFalpha; Not tested ChEMBL. 15857115
IC50 (binding) 0 uM Inhibitory activity of the compound against human TRAFbeta; Not tested ChEMBL. 15857115
IC50 (binding) = 1.8 uM Inhibitory activity against human Thyroid hormone receptor beta ChEMBL. 15857115
IC50 (binding) = 1.8 uM Inhibitory activity against human Thyroid hormone receptor beta ChEMBL. 15857115
IC50 (binding) = 4.4 uM Inhibitory activity against human Thyroid hormone receptor alpha ChEMBL. 15857115
IC50 (binding) = 4.4 uM Inhibitory activity against human Thyroid hormone receptor alpha ChEMBL. 15857115
Log IC50 (binding) = 5.36 Inhibition of thyroid hormone receptor alpha (unknown origin) ChEMBL. 17467994
Log IC50 (binding) = 5.74 Inhibition of human thyroid hormone receptor beta 1 ChEMBL. 17524652
Log IC50 (binding) = 5.74 Inhibition of thyroid hormone receptor beta (unknown origin) ChEMBL. 17467994

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

3 literature references were collected for this gene.

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