Detailed information for compound 1067228

Basic information

Technical information
  • TDR Targets ID: 1067228
  • Name: (E)-1-(3,5-dimethoxyphenyl)-3-(3-hydroxy-4-me thoxyphenyl)prop-2-en-1-one
  • MW: 314.333 | Formula: C18H18O5
  • H donors: 1 H acceptors: 2 LogP: 3.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)C(=O)/C=C/c1ccc(c(c1)O)OC
  • InChi: 1S/C18H18O5/c1-21-14-9-13(10-15(11-14)22-2)16(19)6-4-12-5-7-18(23-3)17(20)8-12/h4-11,20H,1-3H3/b6-4+
  • InChiKey: YNROQRRBBZIOQV-GQCTYLIASA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-1-(3,5-dimethoxyphenyl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-en-1-one

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
Loa Loa (eye worm) hypothetical protein 0.0034 0.0667 0.0629
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0601 0.0563
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.004 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0287 0.0248
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0601 0.0323
Mycobacterium ulcerans hypothetical protein 0.0024 0.0287 0.1464
Loa Loa (eye worm) hypothetical protein 0.006 0.172 0.1687
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1832 0.1803
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1145 0.101
Brugia malayi RNA binding protein 0.0062 0.1832 0.1591
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.2525 0.3082
Echinococcus granulosus geminin 0.0193 0.7131 1
Schistosoma mansoni hypothetical protein 0.0193 0.7131 1
Echinococcus granulosus lamin 0.006 0.172 0.1873
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1727 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1832 0.1803
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1145 0.0884
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1832 0.1803
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0287 0.1464
Schistosoma mansoni hypothetical protein 0.0193 0.7131 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1832 0.1799
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1727 0.1884
Schistosoma mansoni chromobox protein 0.0069 0.2084 0.2192
Brugia malayi intermediate filament protein 0.006 0.172 0.1475
Echinococcus granulosus intermediate filament protein 0.006 0.172 0.1873
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0287 0.5
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0983 0.3419
Echinococcus granulosus chromobox protein 1 0.0069 0.2084 0.2419
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0667 0.0391
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0287 0.1464
Schistosoma mansoni lamin 0.006 0.172 0.1629
Echinococcus granulosus tar DNA binding protein 0.0062 0.1832 0.2041
Brugia malayi hypothetical protein 0.0079 0.2525 0.2304
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0865 0.2714
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0287 0.1464
Loa Loa (eye worm) RNA binding protein 0.0062 0.1832 0.1799
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1295 0.1037
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0287 0.1661
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1295 0.126
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1145 0.111
Loa Loa (eye worm) intermediate filament protein 0.006 0.172 0.1687
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1727 1
Onchocerca volvulus 0.003 0.0529 0.1688
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1832 0.1591
Entamoeba histolytica hypothetical protein 0.0079 0.2525 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1727 0.1884
Echinococcus multilocularis chromobox protein 1 0.0069 0.2084 0.2419
Brugia malayi Intermediate filament tail domain containing protein 0.006 0.172 0.1475
Echinococcus multilocularis lamin dm0 0.006 0.172 0.1873
Loa Loa (eye worm) hypothetical protein 0.003 0.0529 0.0491
Schistosoma mansoni hypothetical protein 0.0079 0.2525 0.2875
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0287 0.1464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1145 0.0741
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1727 1
Brugia malayi Heterochromatin protein 1 0.0069 0.2084 0.185
Echinococcus multilocularis geminin 0.0193 0.7131 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1832 0.2041
Echinococcus granulosus chromobox protein 1 0.0069 0.2084 0.2419
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.2525 0.2875
Echinococcus multilocularis lamin 0.006 0.172 0.1873
Onchocerca volvulus 0.006 0.172 1
Entamoeba histolytica hypothetical protein 0.0079 0.2525 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1145 0.101
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1727 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0473 0.0435
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1295 0.1037
Loa Loa (eye worm) hypothetical protein 0.0028 0.0429 0.039
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1727 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.2084 0.2419
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.2084 0.2052
Schistosoma mansoni lamin 0.006 0.172 0.1629
Loa Loa (eye worm) hypothetical protein 0.0028 0.0429 0.039
Trichomonas vaginalis chromobox protein, putative 0.0069 0.2084 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0865 0.4033
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0287 0.1464
Trichomonas vaginalis chromobox protein, putative 0.0069 0.2084 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0287 0.1464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1145 0.0741
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1832 0.1799
Loa Loa (eye worm) hypothetical protein 0.0038 0.0865 0.0828
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0287 0.1464
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1727 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0983 0.4857
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1145 0.0741
Entamoeba histolytica hypothetical protein 0.0079 0.2525 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0983 0.3419
Loa Loa (eye worm) hypothetical protein 0.0049 0.1295 0.126
Brugia malayi chromobox protein homolog 3 0.0038 0.0865 0.0595
Echinococcus multilocularis musashi 0.006 0.172 0.1873
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0287 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.004 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0264 1 1
Onchocerca volvulus 0.006 0.172 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1727 0.1641
Entamoeba histolytica hypothetical protein 0.0079 0.2525 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0287 0.0248
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1727 0.1641
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.006 0.172 0.1687
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1145 0.101
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0865 0.2714
Loa Loa (eye worm) hypothetical protein 0.0024 0.0287 0.0248
Schistosoma mansoni chromobox protein 0.0069 0.2084 0.2192
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0287 0.1661
Loa Loa (eye worm) hypothetical protein 0.0058 0.1676 0.1642
Schistosoma mansoni intermediate filament proteins 0.006 0.172 0.1629
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1832 0.1803
Brugia malayi TAR-binding protein 0.0062 0.1832 0.1591
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.004 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1832 0.1803
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.2525 0.3082
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.004 0.0231
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1145 0.101
Echinococcus granulosus lamin dm0 0.006 0.172 0.1873

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 2.3 uM Cytotoxicity against human NCI-H2009 cells after 48 hrs by fluorescence assay ChEMBL. 19883086
GI50 (functional) = 3.3 uM Cytotoxicity against human A549 cells after 48 hrs by fluorescence assay ChEMBL. 19883086

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

No literature references available for this target.

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