Detailed information for compound 448332

Basic information

Technical information
  • TDR Targets ID: 448332
  • Name: (4-hexylphenyl) prop-2-ynoate
  • MW: 230.302 | Formula: C15H18O2
  • H donors: 0 H acceptors: 1 LogP: 5.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCc1ccc(cc1)OC(=O)C#C
  • InChi: 1S/C15H18O2/c1-3-5-6-7-8-13-9-11-14(12-10-13)17-15(16)4-2/h2,9-12H,3,5-8H2,1H3
  • InChiKey: IAEVDNHEIHTNJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-propynoic acid (4-hexylphenyl) ester
  • propiolic acid (4-hexylphenyl) ester
  • prop-2-ynoic acid (4-hexylphenyl) ester

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
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
Schistosoma mansoni thyroid hormone receptor 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 granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
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
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 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_156853 All targets in OG5_156853
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
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
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0079 0.0785 0.1462
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0562 0.0419
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0232 0.6206
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0079 0.0785 0.0691
Brugia malayi photoreceptor-specific nuclear receptor 0.0079 0.0785 0.1327
Echinococcus granulosus thyroid hormone receptor alpha 0.0037 0.0246 0.0036
Brugia malayi nuclear receptor RXR 0.0042 0.0304 0.0203
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0079 0.0785 0.0691
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Echinococcus granulosus tar DNA binding protein 0.0062 0.0562 0.0419
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0079 0.0785 0.0691
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0103 0.1267
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.033 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0079 0.0785 0.0581
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0079 0.0785 0.1327
Schistosoma mansoni nuclear receptor 0.0037 0.0246 0.0036
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0191
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0246 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0186 0.444
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0562 0.0805
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0037 0.0246 0.0069
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0246 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0079 0.0785 0.1462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.01 0.1138
Brugia malayi RNA binding protein 0.0062 0.0562 0.0805
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0246 0.0036
Brugia malayi nuclear hormone receptor family member nhr-6 0.0037 0.0246 0.0069
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0232 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.0562 0.0872
Loa Loa (eye worm) hypothetical protein 0.0325 0.3959 0.9848
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0042 0.0304 0.0106
Brugia malayi nuclear receptor NHR-67 0.0037 0.0246 0.0069
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0246 0.003
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0215 0.6514
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0079 0.0785 0.0691
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0183 0.5
Schistosoma mansoni thyroid hormone receptor 0.0231 0.2745 0.3074
Echinococcus granulosus ecdysone induced protein 78C 0.0079 0.0785 0.0691
Brugia malayi Nuclear hormone receptor-like 1 0.0367 0.4498 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0079 0.0785 0.1327
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0562 0.0419
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0079 0.0785 0.1327
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0079 0.0785 0.1327
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0079 0.0785 0.0691
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0079 0.0785 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.007 0.0018
Brugia malayi TAR-binding protein 0.0062 0.0562 0.0805
Schistosoma mansoni retinoic acid receptor RXR 0.0079 0.0785 0.0691
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0079 0.0785 0.0581
Schistosoma mansoni coup transcription factor 0.0079 0.0785 0.0691
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0079 0.0785 0.1327
Onchocerca volvulus 0.0079 0.0785 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0186 0.444
Schistosoma mansoni nuclear receptor nhr-48 0.0037 0.0246 0.0036
Onchocerca volvulus Bile acid receptor homolog 0.0079 0.0785 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0231 0.2745 0.2584
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1264 0.2727
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0079 0.0785 0.1327
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.033 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.033 1
Brugia malayi Inositol-1 0.0036 0.0232 0.0034
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.1726 0.1542
Loa Loa (eye worm) nuclear hormone receptor 0.0037 0.0246 0.0039
Brugia malayi nuclear receptor RXR 0.0037 0.0246 0.0069
Loa Loa (eye worm) DR-78 0.0037 0.0246 0.0039
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0033 0.0985
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0079 0.0785 0.0691
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0132 0.2387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0186 0.444
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.033 0.0138
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0079 0.0785 0.0691
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0186 0.444
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Loa Loa (eye worm) steroid hormone receptor 0.0079 0.0785 0.1462
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0079 0.0785 0.1462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0186 0.444
Loa Loa (eye worm) hypothetical protein 0.0144 0.1626 0.3684
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0562 0.0872
Brugia malayi ecdysteroid receptor 0.0079 0.0785 0.1327
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0079 0.0785 0.0691
Brugia malayi nuclear receptor NHR-88 0.0037 0.0246 0.0069
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0079 0.0785 0.0581
Schistosoma mansoni inositol monophosphatase 0.0036 0.0232 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0215 0.556
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Echinococcus multilocularis muscleblind protein 0.0144 0.1626 0.1441
Schistosoma mansoni nuclear receptor 0.0037 0.0246 0.0036
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0562 0.0419
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0246 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.01 0.1138
Echinococcus granulosus microtubule associated protein 2 0.0673 0.8441 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0079 0.0785 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0215 0.556
Schistosoma mansoni RAR-like nuclear receptor 0.0079 0.0785 0.0691
Brugia malayi steroid hormone receptor 0.0079 0.0785 0.1327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0215 0.556
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0246 0.003
Brugia malayi ecdysone receptor 0.0037 0.0246 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0079 0.0785 0.1327
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1264 0.2727
Brugia malayi Nuclear hormone receptor-like 1 0.033 0.4017 0.8876
Schistosoma mansoni microtubule-associated protein tau 0.0673 0.8441 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.033 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0215 0.556
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0042 0.0304 0.0106
Echinococcus multilocularis muscleblind protein 1 0.0144 0.1626 0.1441
Echinococcus granulosus FTZ F1 alpha 0.0079 0.0785 0.0691
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.033 0.0265
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0079 0.0785 0.0691
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0232 0.1419
Brugia malayi hypothetical protein 0.0042 0.0304 0.0203
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.033 1
Brugia malayi tailless protein 0.0037 0.0246 0.0069
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.033 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0186 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.007 0.0018
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.033 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.033 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0042 0.0304 0.0089
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0079 0.0785 0.0691
Loa Loa (eye worm) nuclear receptor NHR-67 0.0037 0.0246 0.0039
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0232 0.7009
Brugia malayi Muscleblind-like protein 0.0144 0.1626 0.3292
Brugia malayi orphan nuclear receptor NR2E1 0.0037 0.0246 0.0069
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Brugia malayi nuclear hormone receptor 0.0037 0.0246 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0186 0.444
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0079 0.0785 0.1327
Echinococcus multilocularis ecdysone induced protein 78C 0.0079 0.0785 0.0581
Onchocerca volvulus Protein ultraspiracle homolog 0.0079 0.0785 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.033 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0232 0.0018
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.033 0.0261
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0037 0.0246 0.0036
Brugia malayi nuclear hormone receptor family member odr-7 0.0037 0.0246 0.0069
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.033 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0248 0.6827
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0079 0.0785 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0103 0.1267
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0562 0.0419
Brugia malayi hypothetical protein 0.0037 0.0246 0.0069
Schistosoma mansoni nuclear hormone receptor 0.0079 0.0785 0.0691
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.033 0.0138
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0562 0.0872
Brugia malayi nuclear hormone receptor 0.0079 0.0785 0.1327
Echinococcus multilocularis FTZ F1 alpha 0.0079 0.0785 0.0581
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0037 0.0246 0.0036
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0246 0.0036
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0079 0.0785 0.0581
Echinococcus multilocularis microtubule associated protein 2 0.0673 0.8441 0.8406
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0037 0.0246 0.0036
Brugia malayi hypothetical protein 0.0042 0.0304 0.0203
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0232 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0079 0.0785 0.0691
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0037 0.0246 0.003
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Loa Loa (eye worm) hypothetical protein 0.0144 0.1626 0.3684
Echinococcus granulosus nuclear receptor nhr 48 0.0037 0.0246 0.0036
Schistosoma mansoni zinc finger protein 0.0037 0.0246 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0079 0.0785 0.1327
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0079 0.0785 0.1327
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0079 0.0785 0.1327
Brugia malayi Steroid receptor seven-up type 2 0.0079 0.0785 0.1327
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.0304 0.0106
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0037 0.0246 0.003
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0191
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0191
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.033 0.4017 1
Echinococcus granulosus muscleblind protein 0.0144 0.1626 0.1714
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0079 0.0785 0.0691
Loa Loa (eye worm) hypothetical protein 0.0037 0.0246 0.0039
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.1726 0.1835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0079 0.0785 0.1462
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0079 0.0785 0.0691
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0232 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.033 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0103 0.1267
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0215 0.556
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0079 0.0785 0.1462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0144 0.2856
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0246 0.0069
Echinococcus multilocularis nuclear receptor nhr 48 0.0037 0.0246 0.003
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0232 0.1419
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0232 0.1285
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0079 0.0785 0.1462
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0562 0.0419
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0562 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.033 1
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0246 0.0036
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0246 0.003
Schistosoma mansoni hypothetical protein 0.0152 0.1726 0.1835
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0232 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.007 0.0018
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Brugia malayi Nuclear hormone receptor-like 1 0.033 0.4017 0.8876
Brugia malayi nuclear receptor NHR-88 0.0079 0.0785 0.1327
Schistosoma mansoni inositol monophosphatase 0.0036 0.0232 0.0018
Brugia malayi hypothetical protein 0.0037 0.0246 0.0069
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0079 0.0785 0.1462
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0183 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0079 0.0785 0.1327
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0232 0.6206
Brugia malayi conserved hypotetical protein 0.0037 0.0246 0.0069
Brugia malayi MH2 domain containing protein 0.0116 0.1264 0.2446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.007 0.0018
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0232 0.6206
Schistosoma mansoni steroid hormone receptor ad4bp 0.0079 0.0785 0.0691
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0037 0.0246 0.0039
Giardia lamblia GTOR 0.0044 0.033 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0079 0.0785 0.1327
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0232 0.1419
Loa Loa (eye worm) hypothetical protein 0.0079 0.0785 0.1462
Schistosoma mansoni thyroid hormone receptor 0.0231 0.2745 0.3074

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.2 uM Displacement of labeled SRC2-2 from human TRbeta expressed in BL21 (DE3) cells FP assay ChEMBL. 17918822
IC50 (binding) = 6.2 uM Displacement of labeled SRC2-2 from human TRbeta expressed in BL21 (DE3) cells FP assay ChEMBL. 17918822
IC50 (binding) = 16.7 uM Displacement of labeled SRC2-2 from human TRalpha by FP assay ChEMBL. 17918822
IC50 (binding) = 16.7 uM Displacement of labeled SRC2-2 from human TRalpha by FP assay ChEMBL. 17918822
LD50 (functional) = 7.9 uM Cytotoxicity against human ARO cells after 48 hrs by MTS assay ChEMBL. 17918822
LD50 (functional) = 7.9 uM Cytotoxicity against human ARO cells after 48 hrs by MTS assay ChEMBL. 17918822
LD50 (functional) = 13.9 uM Cytotoxicity against human U2OS cells after 48 hrs by MTS assay ChEMBL. 17918822
LD50 (functional) = 13.9 uM Cytotoxicity against human U2OS cells after 48 hrs by MTS assay ChEMBL. 17918822
permeability (ADMET) = 21 10^-6 cm/s Permeability across artificial membrane at pH 7.4 by PAMPA assay ChEMBL. 17918822
Ratio IC50 (binding) = 2.7 Selectivity ratio of IC50 for TRBeta to IC50 for TRalpha ChEMBL. 17918822
Solubility = 18 uM Solubility in PBS ChEMBL. 17918822

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

1 literature reference was collected for this gene.

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