Detailed information for compound 951831

Basic information

Technical information
  • TDR Targets ID: 951831
  • Name: 1-(4-hydroxy-3-methoxyphenyl)propan-1-one
  • MW: 180.2 | Formula: C10H12O3
  • H donors: 1 H acceptors: 2 LogP: 1.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)c1ccc(c(c1)OC)O
  • InChi: 1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3
  • InChiKey: FBGXENQFSMMBNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-hydroxy-3-methoxy-phenyl)propan-1-one
  • 1835-14-9
  • ZINC00494463
  • 4'-HYDROXY-3'-METHOXYPROPIOPHENONE
  • NSC 16691
  • Propioguaiacol
  • 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-
  • 3-Methoxy-4-hydroxypropiophenone
  • 4-Hydroxy-3-methoxypropiophenone
  • NSC16691
  • Propioguaiacone
  • Propiophenone, 4'-hydroxy-3'-methoxy
  • MLS001049078
  • SMR000386916
  • Propiovanillone
  • BB_NC-0331
  • MLS000776976
  • 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)
  • 1-(4-Hydroxy-3-methoxy-phenyl)-propan-1-one
  • AIDS-113491
  • AIDS113491

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi RasGEF domain containing protein 0.0007 0.0013 0.0057
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0166 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.005 0.0272
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.005 0.0272
Brugia malayi RasGEF domain containing protein 0.0007 0.0013 0.0057
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.005 0.1242
Mycobacterium tuberculosis Probable riboflavin synthase beta chain RibH (6,7-dimethyl-8-ribityllumazine synthase) (DMRL synthase) (lumazine synthase) 0.1183 1 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0166 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.005 0.0272
Schistosoma mansoni blooms syndrome DNA helicase 0.0022 0.0139 0.3417
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.005 0.0272
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.011 0.6622
Loa Loa (eye worm) hypothetical protein 0.0212 0.175 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.005 0.118
Brugia malayi ecdysteroid receptor 0.0012 0.005 0.0272
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.005 0.0272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0406 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0048 0.1131
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0038 0.0878
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0406 0.2306
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.005 0.0272
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0013 0.0315
Wolbachia endosymbiont of Brugia malayi 6,7-dimethyl-8-ribityllumazine synthase 0.1183 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.1155 0.6593
Mycobacterium leprae Probable riboflavin synthase beta chain RibH (6,7-dimethyl-8-ribityllumazine synthase) (DMRL synthase) (Lumazine synthase). 0.1183 1 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0038 0.0202
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.005 0.118
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0003 0.0071
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0013 0.0057
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.005 0.118
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0013 0.0315
Schistosoma mansoni hypothetical protein 0.0011 0.0046 0.1145
Loa Loa (eye worm) hypothetical protein 0.0025 0.0166 0.0931
Loa Loa (eye worm) hypothetical protein 0.0007 0.0013 0.0057
Schistosoma mansoni DNA helicase recq1 0.0012 0.0048 0.1194
Echinococcus multilocularis son of sevenless 1 0.0007 0.0013 0.0246
Brugia malayi N-terminal motif family protein 0.0007 0.0013 0.0057
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0003 0.0071
Echinococcus granulosus Protein son of sevenless 0.0007 0.0013 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.005 0.0272
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0166 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0406 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0202
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0013 0.0315
Brugia malayi Bloom's syndrome protein homolog 0.0028 0.0189 0.1065
Brugia malayi DIX domain containing protein 0.001 0.0038 0.0202
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.005 0.0217
Echinococcus multilocularis bloom syndrome protein 0.0028 0.0189 0.462
Schistosoma mansoni thyroid hormone receptor 0.0012 0.005 0.1242
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.005 0.0272
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0038 0.0878
Toxoplasma gondii hypothetical protein 0.001 0.0038 0.231
Mycobacterium ulcerans 6,7-dimethyl-8-ribityllumazine synthase 0.1183 1 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0048 0.5
Loa Loa (eye worm) RecQ helicase 0.0028 0.0189 0.1065
Schistosoma mansoni dishevelled 0.001 0.0038 0.0942
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.005 0.118
Trichomonas vaginalis DNA helicase recq, putative 0.0028 0.0189 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0078 0.4239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.005 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.005 0.0272
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.005 0.118
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.001 0.0239
Trichomonas vaginalis DNA helicase recq1, putative 0.0028 0.0189 1
Schistosoma mansoni regulator of G protein signaling 0.001 0.0038 0.0942
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Echinococcus granulosus bloom syndrome protein 0.0028 0.0189 0.462
Schistosoma mansoni DNA helicase recq5 0.0012 0.0048 0.1194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.005 0.0272
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0048 0.2928
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.005 0.0272
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Brugia malayi N-terminal motif family protein 0.0212 0.175 1
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0038 0.0878
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0046 0.1081
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Onchocerca volvulus 0.001 0.0038 0.0146
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0038 0.0202
Schistosoma mansoni nuclear hormone receptor 0.0012 0.005 0.1242
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.005 0.0272
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.016 0.9527
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.005 0.118
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0013 0.0315
Loa Loa (eye worm) hypothetical protein 0.0012 0.0048 0.0261
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0038 0.0878
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0048 0.1131
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0048 0.0261
Loa Loa (eye worm) hypothetical protein 0.0007 0.0013 0.0057
Echinococcus granulosus ras GTP exchange factor 0.0007 0.0013 0.0246
Brugia malayi nuclear receptor NHR-88 0.0012 0.005 0.0272
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.005 0.1242
Brugia malayi steroid hormone receptor 0.0012 0.005 0.0272
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Leishmania major hypothetical protein, conserved 0.0025 0.0166 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.005 0.118
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0038 0.0202
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0038 0.0878
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0048 0.1131
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.005 0.1242
Brugia malayi hypothetical protein 0.001 0.0038 0.0202
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.005 0.0217
Brugia malayi hypothetical protein 0.0016 0.0089 0.0493
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0013 0.0315
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.005 0.1242
Echinococcus granulosus FTZ F1 alpha 0.0012 0.005 0.118
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0038 0.0202
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0406 1
Brugia malayi hypothetical protein 0.0025 0.0166 0.0931
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0007 0.0013 0.0246
Echinococcus granulosus son of sevenless 1 0.0007 0.0013 0.0246
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.005 0.118
Schistosoma mansoni dishevelled 0.001 0.0038 0.0942
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.005 0.118
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0007 0.0013 0.0246
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0202
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.005 0.1242
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0166 1
Schistosoma mansoni dep domain containing protein 0.001 0.0038 0.0942
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0048 0.0261
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.005 0.118
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0048 0.1131
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.005 0.1242
Echinococcus multilocularis ras GTP exchange factor 0.0007 0.0013 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.005 0.0272
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0212 0.175 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0406 0.2306
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.005 0.0272
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.005 0.118
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0038 0.0878
Echinococcus multilocularis Protein son of sevenless 0.0007 0.0013 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.005 0.0272
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0038 0.0878
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.005 0.118
Onchocerca volvulus 0.0012 0.005 0.0217
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0078 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0272
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0007 0.0013 0.0246
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0038 0.0942
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.005 0.118
Schistosoma mansoni coup transcription factor 0.0012 0.005 0.1242
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0078 0.3673
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0038 0.0878
Brugia malayi hypothetical protein 0.001 0.0038 0.0202
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0038 0.0878
Brugia malayi RasGEF domain containing protein 0.0007 0.0013 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.005 0.0272
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0166 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.005 0.118
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.005 0.118
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0013 0.0057
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.005 0.1242
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0048 0.2928
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0038 0.0202
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0202
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0406 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.005 0.0272
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0038 0.0146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0406 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0007 0.0013 0.0246
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.005 0.118
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.005 0.0217
Brugia malayi N-terminal motif family protein 0.0007 0.0013 0.0057
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0048 0.0261
Schistosoma mansoni thyroid hormone receptor 0.0012 0.005 0.1242
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.005 0.0272
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.005 0.0272
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0406 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.005 0.0272
Entamoeba histolytica hypothetical protein 0.0007 0.0013 0.1651
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.005 0.0272
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0166 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.005 0.1242
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0046 0.1081
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.005 0.0272
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0406 1
Brugia malayi nuclear hormone receptor 0.0012 0.005 0.0272
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0166 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.005 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.005 0.0272
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0038 0.0942
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0013 0.0057
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.005 0.1242
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0038 0.0878
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0013 0.1651

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 18.8 ug ml-1 Cytotoxicity against human H9 cells ChEMBL. 11678650
Potency (functional) 0.0033 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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