Detailed information for compound 30054

Basic information

Technical information
  • TDR Targets ID: 30054
  • Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one
  • MW: 194.227 | Formula: C11H14O3
  • H donors: 1 H acceptors: 2 LogP: 1.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCC(=O)C)ccc1O
  • InChi: 1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
  • InChiKey: OJYLAHXKWMRDGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-hydroxy-3-methoxy-phenyl)butan-2-one
  • 4-(4-hydroxy-3-methoxyphenyl)-2-butanone
  • zingerone
  • 122-48-5
  • ZINC00526834
  • LS-2368
  • ST5407498
  • 4-(4-hydroxy-3-methoxy-phenyl)-butan-2-one
  • InChI=1/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H
  • (4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone
  • Gingerone
  • HSDB 1064
  • NSC 15335
  • W312401_ALDRICH
  • Vanillyl acetone
  • Zingherone
  • (0)-Paradol
  • 2-(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone
  • 3-Methoxy-4-hydroxy-benzylacetone
  • 4-(3-Methoxy-4-hydroxyphenyl)-2-butanone
  • 4-08-00-01866 (Beilstein Handbook Reference)
  • AI3-31837
  • BRN 2051099
  • CCRIS 2036
  • EINECS 204-548-3
  • FEMA No. 3124
  • 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-
  • 3-Methoxy-4-hydroxybenzylacetone
  • 4(4-Hydroxy-3-methoxyphenyl)-2-butanone
  • 4-Hydroxy-3-methoxybenzylacetone
  • NSC15335
  • Vanillylacetone
  • Zingiberone
  • [0]-Paradol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) acetylcholinesterase 1 0.0518 0.9704 0.9703
Echinococcus multilocularis geminin 0.0164 0.3 0.2978
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.018 0.0148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0015 0.018 0.0148
Loa Loa (eye worm) steroid hormone receptor 0.0015 0.018 0.0148
Loa Loa (eye worm) carboxylesterase 0.0087 0.1557 0.153
Echinococcus granulosus acetylcholinesterase 0.0518 0.9704 0.9703
Echinococcus granulosus BC026374 protein S09 family 0.0087 0.1557 0.153
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0533 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0015 0.018 0.0148
Brugia malayi hypothetical protein 0.0008 0.0048 0.0016
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0096 0.0064
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0317 0.0346
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1029 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0096 0.0064
Loa Loa (eye worm) hypothetical protein 0.0087 0.1557 0.153
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.018 0.0148
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1029 0.1029
Onchocerca volvulus 0.0087 0.1557 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1029 0.1
Brugia malayi follicle stimulating hormone receptor 0.0227 0.4204 0.4185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0015 0.018 0.0148
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0317 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0015 0.018 0.0148
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0189 0.0157
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0015 0.018 0.018
Trichomonas vaginalis spcc417.12 protein, putative 0.0087 0.1557 0.2956
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0015 0.018 0.0148
Schistosoma mansoni hypothetical protein 0.0015 0.0189 0.0189
Schistosoma mansoni retinoic acid receptor RXR 0.0015 0.018 0.018
Onchocerca volvulus Bile acid receptor homolog 0.0015 0.018 0.0968
Loa Loa (eye worm) carboxylesterase 0.0518 0.9704 0.9703
Brugia malayi Carboxylesterase family protein 0.0087 0.1557 0.153
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0317 0.0286
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0524 0.0493
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0015 0.018 0.0148
Schistosoma mansoni nuclear receptor 0.0007 0.0032 0.0032
Brugia malayi Carboxylesterase family protein 0.0087 0.1557 0.153
Loa Loa (eye worm) hypothetical protein 0.0015 0.0189 0.0157
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0015 0.018 0.0148
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0533 1 1
Echinococcus granulosus FTZ F1 alpha 0.0015 0.018 0.0148
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.018 0.0148
Loa Loa (eye worm) hypothetical protein 0.0087 0.1557 0.153
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.018 0.0148
Schistosoma mansoni glutaminase 0.0264 0.4901 0.4901
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0008 0.0048 0.0016
Echinococcus granulosus GPCR family 2 0.0015 0.0189 0.0157
Loa Loa (eye worm) glutaminase 2 0.0264 0.4901 0.4885
Schistosoma mansoni coup transcription factor 0.0015 0.018 0.018
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1029 0.1551
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0015 0.018 0.0148
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0008 0.0048 0.0016
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0317 0.0346
Brugia malayi Carboxylesterase family protein 0.0518 0.9704 0.9703
Brugia malayi glutaminase DH11.1 0.0264 0.4901 0.4885
Onchocerca volvulus 0.0015 0.018 0.0968
Loa Loa (eye worm) hypothetical protein 0.0518 0.9704 0.9703
Schistosoma mansoni RAR-like nuclear receptor 0.0015 0.018 0.018
Schistosoma mansoni thyroid hormone receptor 0.0015 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Brugia malayi Carboxylesterase family protein 0.0087 0.1557 0.153
Schistosoma mansoni survival motor neuron protein 0.0056 0.097 0.097
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0016
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0518 0.9704 0.9704
Brugia malayi Steroid receptor seven-up type 2 0.0015 0.018 0.0148
Loa Loa (eye worm) hypothetical protein 0.0087 0.1557 0.153
Schistosoma mansoni acetylcholinesterase 0.0087 0.1557 0.1557
Schistosoma mansoni DNA helicase recq5 0.001 0.0096 0.0096
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0317 0.0286
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0812 0.0783
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0374 0.0464
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.018 0.0148
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0015 0.018 0.018
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0015 0.018 0.0148
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0189 0.0157
Schistosoma mansoni hypothetical protein 0.0015 0.0189 0.0189
Echinococcus granulosus geminin 0.0164 0.3 0.2978
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0317 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0048 0.0048
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0317 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0189 0.0157
Echinococcus granulosus para nitrobenzyl esterase 0.0087 0.1557 0.153
Schistosoma mansoni hypothetical protein 0.0164 0.3 0.3
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0015 0.018 0.0148
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0015 0.018 0.018
Brugia malayi hypothetical protein 0.0277 0.5144 0.5128
Loa Loa (eye worm) hypothetical protein 0.001 0.0096 0.0064
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0007 0.0032 0.0032
Brugia malayi hypothetical protein 0.0008 0.0048 0.0016
Schistosoma mansoni thyroid hormone receptor 0.0015 0.018 0.018
Echinococcus granulosus neuroligin 0.0087 0.1557 0.153
Toxoplasma gondii exonuclease III APE 0.0022 0.0317 0.3086
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Echinococcus multilocularis ecdysone induced protein 78C 0.0015 0.018 0.0148
Schistosoma mansoni zinc finger protein 0.0007 0.0032 0.0032
Schistosoma mansoni ap endonuclease 0.0022 0.0317 0.0317
Schistosoma mansoni hypothetical protein 0.0533 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Loa Loa (eye worm) hypothetical protein 0.002 0.0278 0.0246
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0317 0.0286
Schistosoma mansoni nuclear receptor 0.0007 0.0032 0.0032
Echinococcus granulosus survival motor neuron protein 1 0.0277 0.5144 0.5128
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0016
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0007 0.0032 0.0032
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0087 0.1557 0.1557
Schistosoma mansoni hypothetical protein 0.0056 0.097 0.097
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0096 0.0064
Loa Loa (eye worm) hypothetical protein 0.0087 0.1557 0.153
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0016
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0015 0.018 0.0148
Loa Loa (eye worm) RecQ helicase 0.0025 0.0374 0.0342
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0015 0.018 0.0148
Mycobacterium ulcerans glutaminase 0.0264 0.4901 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0317 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0189 0.0157
Schistosoma mansoni hypothetical protein 0.0164 0.3 0.3
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0317 1
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0048 0.0016
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0015 0.018 0.0148
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0015 0.018 0.0148
Schistosoma mansoni nuclear hormone receptor 0.0015 0.018 0.018
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0317 0.1876
Schistosoma mansoni nuclear hormone receptor 0.0007 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0015 0.018 0.0148
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0189 0.0157
Brugia malayi Carboxylesterase family protein 0.0087 0.1557 0.153
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.018 0.0148
Onchocerca volvulus 0.0087 0.1557 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1557 0.153
Brugia malayi nuclear hormone receptor 0.0015 0.018 0.0148
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0016
Trichomonas vaginalis glutaminase, putative 0.0264 0.4901 1
Loa Loa (eye worm) glutaminase 0.0264 0.4901 0.4885
Schistosoma mansoni gliotactin 0.0087 0.1557 0.1557
Brugia malayi nuclear receptor RXR 0.0008 0.0048 0.0016
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0096 0.0931
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.018 0.0148
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0317 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0087 0.1557 0.153
Schistosoma mansoni DNA helicase recq1 0.001 0.0096 0.0096
Echinococcus granulosus ecdysone induced protein 78C 0.0015 0.018 0.0148
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1029 0.1029
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.5144 0.5128
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0317 0.5
Brugia malayi steroid hormone receptor 0.0015 0.018 0.0148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0015 0.018 0.0148
Echinococcus granulosus carboxylesterase 5A 0.0518 0.9704 0.9703
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0015 0.018 0.0148
Brugia malayi hypothetical protein 0.0087 0.1557 0.153
Onchocerca volvulus 0.0087 0.1557 1
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0153 0.4826
Mycobacterium ulcerans carboxylesterase, LipT 0.0087 0.1557 0.2704
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0015 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0518 0.9704 0.9703
Onchocerca volvulus 0.0087 0.1557 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0087 0.1557 1
Echinococcus multilocularis acetylcholinesterase 0.0518 0.9704 0.9703
Echinococcus multilocularis survival motor neuron protein 1 0.0277 0.5144 0.5128
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0096 0.0064
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0533 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1557 0.153
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Echinococcus multilocularis FTZ F1 alpha 0.0015 0.018 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0015 0.018 0.0148
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0087 0.1557 0.1557
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0812 0.0783
Brugia malayi nuclear receptor NHR-88 0.0015 0.018 0.0148
Brugia malayi ecdysteroid receptor 0.0015 0.018 0.0148
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0087 0.1557 0.153
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0087 0.1557 0.1557
Schistosoma mansoni nuclear receptor nhr-48 0.0007 0.0032 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.018 0.0148
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Schistosoma mansoni hypothetical protein 0.0015 0.0189 0.0189
Echinococcus granulosus acetylcholinesterase 0.0518 0.9704 0.9703
Schistosoma mansoni steroid hormone receptor ad4bp 0.0015 0.018 0.018
Echinococcus granulosus bloom syndrome protein 0.0025 0.0374 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0015 0.018 0.0148
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0048 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0015 0.018 0.0148
Echinococcus multilocularis acetylcholinesterase 0.0518 0.9704 0.9703
Brugia malayi photoreceptor-specific nuclear receptor 0.0015 0.018 0.0148
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0812 0.0783
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1029 1
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0274 0.0274
Schistosoma mansoni hypothetical protein 0.0015 0.0189 0.0189
Schistosoma mansoni ap endonuclease 0.0022 0.0317 0.0317
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0096 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0015 0.018 0.0148
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0189 0.0157
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0374 0.0342
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0096 0.0064
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1029 0.1551
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0189 0.0157
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0317 0.0286
Echinococcus multilocularis neuroligin 0.0087 0.1557 0.153
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.018 0.018
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.097 0.0941
Echinococcus multilocularis GPCR, family 2 0.0015 0.0189 0.0157
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.018 0.0148
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0087 0.1557 0.2956
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1029 0.1
Schistosoma mansoni hypothetical protein 0.0033 0.0524 0.0524
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0096 0.0064
Schistosoma mansoni neuroligin 3 (S09 family) 0.0087 0.1557 0.1557
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0015 0.018 0.0968
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0316 0.994
Onchocerca volvulus 0.0056 0.097 0.615
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0087 0.1557 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0015 0.018 0.0148
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0015 0.018 0.0148
Loa Loa (eye worm) carboxylesterase 0.0087 0.1557 0.153
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1029 0.5738
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1029 0.1551
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0374 0.0464
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0087 0.1557 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0087 0.1557 0.153
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0016
Schistosoma mansoni nuclear hormone receptor 0.0007 0.0032 0.0032
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0374 0.0342
Loa Loa (eye worm) hypothetical protein 0.0087 0.1557 0.153
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0008 0.0048 0.0048
Echinococcus multilocularis para nitrobenzyl esterase 0.0087 0.1557 0.153
Schistosoma mansoni hypothetical protein 0.0533 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0087 0.1557 0.1557
Echinococcus multilocularis carboxylesterase 5A 0.0518 0.9704 0.9703
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0096 0.0931
Loa Loa (eye worm) hypothetical protein 0.0048 0.0812 0.0783
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0008 0.0048 0.0016
Brugia malayi Carboxylesterase family protein 0.0518 0.9704 0.9703
Loa Loa (eye worm) hypothetical protein 0.0033 0.0524 0.0493
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.4204 0.4185
Onchocerca volvulus Protein ultraspiracle homolog 0.0015 0.018 0.0968
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0217 0.2106
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0015 0.018 0.0148
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0148
Onchocerca volvulus 0.0087 0.1557 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.018 0.0148
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0015 0.018 0.018
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.018 0.0148

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 129 uM Effective dose to protect PC12 cells from beta-Amyloid (BA) insult was determined using MTT reduction assay ChEMBL. 14980683
ED50 (functional) > 129 uM Effective dose to protect IMR-32 cells from beta-Amyloid (BA) insult was determined using MTT reduction assay ChEMBL. 14980683
ED50 (functional) > 129 uM Effective dose to protect IMR-32 cells from beta-Amyloid (BA) insult was determined using MTT reduction assay ChEMBL. 14980683
IC50 (functional) = 3.82 Antagonist activity at AR in human MDA-kb2 cells co-transfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene assay ChEMBL. 20226658
IC50 (binding) > 100 uM Inhibition of mushroom tyrosinase ChEMBL. 19615910
IC50 (functional) > 100 uM Inhibition of melanogenesis in theophylline-stimulated mouse B16-4A5 cells after 72 hrs ChEMBL. 19615910
IC50 (functional) = 153 uM Antagonist activity at AR in human MDA-kb2 cells co-transfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene assay ChEMBL. 20226658
Inhibition (binding) = -5.32 % Inhibition of electric eel AChE at 2 mg/ml by Ellman's method ChEMBL. 23062825
Inhibition (binding) = 0.1 % Inhibition of mushroom tyrosinase at 10 uM ChEMBL. 19615910
Inhibition (binding) = 0.7 % Inhibition of mushroom tyrosinase at 30 uM ChEMBL. 19615910
Inhibition (binding) = 1.4 % Inhibition of mushroom tyrosinase at 1 uM ChEMBL. 19615910
Inhibition (binding) = 2.1 % Inhibition of mushroom tyrosinase at 3 uM ChEMBL. 19615910
Inhibition (binding) = 6.1 % Inhibition of mushroom tyrosinase at 100 uM ChEMBL. 19615910
Inhibition (binding) = 10.79 % Inhibition of horse BChE at 2 mg/ml by Ellman's method ChEMBL. 23062825
Potency (functional) 2.4541 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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