Detailed information for compound 994316

Basic information

Technical information
  • TDR Targets ID: 994316
  • Name: 3-[[butyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydrox ypropan-2-yl)phenyl]amino]methyl]phenol
  • MW: 421.377 | Formula: C20H21F6NO2
  • H donors: 2 H acceptors: 2 LogP: 5.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cccc(c1)O
  • InChi: 1S/C20H21F6NO2/c1-2-3-11-27(13-14-5-4-6-17(28)12-14)16-9-7-15(8-10-16)18(29,19(21,22)23)20(24,25)26/h4-10,12,28-29H,2-3,11,13H2,1H3
  • InChiKey: ACIHLXUCCJMZLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[butyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]methyl]phenol
  • 3-[[butyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl]amino]methyl]phenol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 3 Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 1, group H, member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
Brugia malayi ecdysteroid receptor Get druggable targets OG5_134445 All targets in OG5_134445
Onchocerca volvulus Bile acid receptor homolog Get druggable targets OG5_134445 All targets in OG5_134445
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 nuclear receptor subfamily 1, group H, member 3 387 aa 321 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0146 0.6617
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0058 0.0046
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0328 0.1109
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0012 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0373 1
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0058 0.016
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0328 0.1109
Loa Loa (eye worm) hypothetical protein 0.0021 0.0196 0.0646
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0525 0.1798
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0469
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0328 0.1109
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0058 0.016
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0058 0.0054
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0012 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Onchocerca volvulus 0.001 0.0058 0.0172
Echinococcus multilocularis neuropeptide s receptor 0.0453 0.5671 0.5665
Brugia malayi hypothetical protein 0.001 0.0058 0.016
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0012 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.022 0.5772
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0058 0.0054
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0012 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0328 0.1109
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0012 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0328 0.0373
Brugia malayi ecdysteroid receptor 0.0217 0.2675 0.9341
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.022 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0012 0.0546
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.022 0.5772
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0328 0.0373
Entamoeba histolytica hypothetical protein 0.0035 0.0373 1
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0328 0.0373
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.022 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0328 0.0317
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0328 0.0373
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0328 0.1109
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Mycobacterium ulcerans hypothetical protein 0.0023 0.022 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0058 0.0054
Brugia malayi hypothetical protein 0.0232 0.2863 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0012 0.0546
Schistosoma mansoni nuclear hormone receptor 0.001 0.0058 0.0054
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0058 0.0172
Loa Loa (eye worm) hypothetical protein 0.0032 0.0328 0.1109
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0825
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0825
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Schistosoma mansoni nuclear receptor 0.001 0.0058 0.0054
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0328 0.0373
Brugia malayi nuclear hormone receptor 0.0032 0.0328 0.1109
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0196 0.0646
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0012 0.0546
Brugia malayi nuclear receptor NHR-88 0.0032 0.0328 0.1109
Brugia malayi AMP-binding enzyme family protein 0.0023 0.022 0.073
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.022 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0328 0.0317
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Brugia malayi steroid hormone receptor 0.0032 0.0328 0.1109
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0328 0.0317
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.8499 0.8497
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0328 0.0373
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0058 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0825
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0328 0.0317
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0196 0.0217
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0328 0.1109
Brugia malayi hypothetical protein 0.0021 0.0196 0.0646
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0825
Loa Loa (eye worm) hypothetical protein 0.0021 0.0196 0.0646
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0012 0.0546
Brugia malayi Nuclear hormone receptor E75 0.001 0.0058 0.016
Loa Loa (eye worm) hypothetical protein 0.0032 0.0328 0.1109
Loa Loa (eye worm) DR-78 0.001 0.0058 0.016
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0328 0.0373
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0058 0.0054
Brugia malayi hypothetical protein 0.0021 0.0196 0.0646
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0012 0.5
Brugia malayi hypothetical protein 0.001 0.0058 0.016
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Onchocerca volvulus 0.0032 0.0328 0.1188
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0058 0.0054
Loa Loa (eye worm) hypothetical protein 0.0217 0.2675 0.9341
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0058 0.0046
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0469
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0328 0.0373
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0713 0.2457
Schistosoma mansoni hypothetical protein 0.0047 0.0525 0.0604
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.2863 0.336
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0713 0.2457
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0373 0.0425
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0328 0.0317
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0328 0.1188
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0328 0.1109
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.022 1
Schistosoma mansoni zinc finger protein 0.001 0.0058 0.0054
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0196 0.0217
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0328 0.0373
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.073
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0058 0.016
Brugia malayi TAR-binding protein 0.0062 0.0713 0.2457
Loa Loa (eye worm) hypothetical protein 0.0032 0.0328 0.1109
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.073
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0328 0.1109
Brugia malayi ecdysone receptor 0.001 0.0058 0.016
Echinococcus granulosus microtubule associated protein 2 0.0676 0.8499 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0196 0.0646
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0012 0.0546
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.022 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0328 0.1109
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0058 0.0054
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0328 0.0373
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.8499 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.022 1
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0328 0.0373
Onchocerca volvulus 0.0023 0.022 0.0781
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0196 0.0217
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0196 0.0184
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Brugia malayi nuclear receptor NHR-67 0.001 0.0058 0.016
Onchocerca volvulus Bile acid receptor homolog 0.0217 0.2675 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.022 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0328 0.0373
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0012 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0328 0.1109
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0328 0.1109
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.022 1
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0328 0.1109
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0146 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0328 0.0373
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0328 0.1109
Schistosoma mansoni survival motor neuron protein 0.0047 0.0525 0.0604
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0328 0.1109
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.022 1
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0328 0.1109
Echinococcus granulosus tar DNA binding protein 0.0062 0.0713 0.0825
Onchocerca volvulus 0.001 0.0058 0.0172
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0328 0.1109
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0058 0.0046
Loa Loa (eye worm) hypothetical protein 0.0032 0.0328 0.1109
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0328 0.0373
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0058 0.016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0328 0.1109
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.073
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0058 0.0054
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0469
Loa Loa (eye worm) hypothetical protein 0.0232 0.2863 1
Schistosoma mansoni hypothetical protein 0.0035 0.0373 0.0425
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0196 0.0646
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0328 0.0373
Schistosoma mansoni coup transcription factor 0.0032 0.0328 0.0373
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0328 0.0373
Brugia malayi nuclear hormone receptor 0.001 0.0058 0.016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0328 0.1109
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0058 0.0054
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0328 0.0373
Echinococcus multilocularis neuropeptide receptor A26 0.0453 0.5671 0.5665
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0469
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0328 0.1109
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0328 0.0317
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.2863 0.2855
Brugia malayi nuclear receptor NHR-88 0.001 0.0058 0.016
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0058 0.016
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0146 0.6421
Schistosoma mansoni nuclear hormone receptor 0.001 0.0058 0.0054
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0469
Entamoeba histolytica hypothetical protein 0.0035 0.0373 1
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0058 0.0046
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0328 0.1109
Entamoeba histolytica hypothetical protein 0.0035 0.0373 1
Brugia malayi conserved hypotetical protein 0.001 0.0058 0.016
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0328 0.1188
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.022 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0713 0.2457
Onchocerca volvulus 0.0047 0.0525 0.1925
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0713 0.0701
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.022 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Brugia malayi nuclear receptor RXR 0.001 0.0058 0.016
Loa Loa (eye worm) hypothetical protein 0.0032 0.0328 0.1109
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.022 1
Brugia malayi hypothetical protein 0.0035 0.0373 0.1264
Echinococcus granulosus neuropeptide receptor A26 0.0453 0.5671 0.6667
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0328 0.0317
Loa Loa (eye worm) hypothetical protein 0.0032 0.0328 0.1109
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0012 0.0546
Brugia malayi RNA binding protein 0.0062 0.0713 0.2457
Loa Loa (eye worm) hypothetical protein 0.0032 0.0328 0.1109
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0328 0.0373
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0825
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0328 0.1109
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0012 0.5
Brugia malayi Nuclear hormone receptor E75 0.001 0.0058 0.016
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0328 0.1109
Loa Loa (eye worm) hypothetical protein 0.0021 0.0196 0.0646
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0328 0.1109
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0328 0.0373
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0058 0.0046
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0058 0.0054
Loa Loa (eye worm) RNA binding protein 0.0062 0.0713 0.2457
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.022 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0196 0.0646
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0373 0.0425
Loa Loa (eye worm) hypothetical protein 0.0021 0.0196 0.0646
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0328 0.0317
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0328 0.0373
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.022 0.5772
Brugia malayi AMP-binding enzyme family protein 0.0023 0.022 0.073
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.022 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0058 0.0046
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0328 0.0373
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0058 0.016
Brugia malayi AMP-binding enzyme family protein 0.0023 0.022 0.073
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0373 0.0361
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.016
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0328 0.1109
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0058 0.016
Schistosoma mansoni nuclear receptor 0.001 0.0058 0.0054
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0012 0.0546
Echinococcus granulosus neuropeptide s receptor 0.0453 0.5671 0.6667
Brugia malayi tailless protein 0.001 0.0058 0.016
Brugia malayi nuclear receptor RXR 0.0021 0.0196 0.0646
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0012 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0146 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0328 0.0317

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30 nM Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain ChEMBL. 18800767
IC50 (functional) = 35 nM Antiinflammatory activity against human THP1 cells assessed as inhibition of LPS-stimulated IL6 production after 6 hrs by ELISA ChEMBL. 18800767
IC50 (binding) = 160 nM Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain ChEMBL. 18800767

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18800767

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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