Detailed information for compound 585308

Basic information

Technical information
  • TDR Targets ID: 585308
  • Name: 4-[(E)-2-(3,4-dimethoxyphenyl)-1-ethyl-but-1- enyl]-1,2-dimethoxy-benzene
  • MW: 356.455 | Formula: C22H28O4
  • H donors: 0 H acceptors: 0 LogP: 6.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=C(c1ccc(c(c1)OC)OC)CC)c1ccc(c(c1)OC)OC
  • InChi: 1S/C22H28O4/c1-7-17(15-9-11-19(23-3)21(13-15)25-5)18(8-2)16-10-12-20(24-4)22(14-16)26-6/h9-14H,7-8H2,1-6H3/b18-17+
  • InChiKey: HHGWEXLKPYHSBU-ISLYRVAYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(E)-2-(3,4-dimethoxyphenyl)-1-ethylbut-1-enyl]-1,2-dimethoxybenzene
  • 4-[(E)-4-(3,4-dimethoxyphenyl)hex-3-en-3-yl]-1,2-dimethoxy-benzene
  • 4-[(E)-4-(3,4-dimethoxyphenyl)hex-3-en-3-yl]-1,2-dimethoxybenzene
  • 3,4-bis(3',3'-dimethoxyphenyl)-3-hexene
  • 82846-25-1
  • 3,4-Bdph
  • 3,4-Bis(3',3'-dimethoxypenyl)-trans-3-hexene
  • Benzene, 1,1'-(1,2-diethyl-1,2-ethenediyl)bis(3,4-dimethoxy-, (E)-

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
Schistosoma mansoni hypothetical protein 0.0185 0.2135 0.6153
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0401 0.5
Onchocerca volvulus 0.0047 0.0336 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0401 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0999 0.288
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0191 0.0191
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0421 0.1214
Schistosoma mansoni tar DNA-binding protein 0.0266 0.3189 0.9191
Echinococcus granulosus tar DNA binding protein 0.0266 0.3189 1
Brugia malayi RNA recognition motif domain containing protein 0.0266 0.3189 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0999 0.0999
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.016 0.5
Loa Loa (eye worm) MBCTL1 0.0054 0.0421 0.1321
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0336 0.0968
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0413 0.1296
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0266 0.3189 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0421 0.1321
Brugia malayi hypothetical protein 0.0052 0.0401 0.1258
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0336 0.0968
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0401 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0129 0.0404
Schistosoma mansoni tar DNA-binding protein 0.0266 0.3189 0.9191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0999 0.288
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0235 0.0677
Schistosoma mansoni hypothetical protein 0.0036 0.0194 0.0558
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0421 0.0421
Echinococcus granulosus geminin 0.0185 0.2135 0.6694
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0025 0.0025
Brugia malayi RNA binding protein 0.0266 0.3189 1
Brugia malayi mbt repeat family protein 0.0047 0.0336 0.1053
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0421 0.1321
Echinococcus multilocularis geminin 0.0185 0.2135 0.2135
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0336 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.0999 0.3134
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0421 0.1321
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0999 0.3134
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.016 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0194 0.0607
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0191 0.06
Loa Loa (eye worm) hypothetical protein 0.0053 0.0413 0.1296
Schistosoma mansoni tar DNA-binding protein 0.0266 0.3189 0.9191
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0336 0.0336
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.215 0.6743
Echinococcus multilocularis tar DNA binding protein 0.0266 0.3189 0.3189
Schistosoma mansoni hypothetical protein 0.0185 0.2135 0.6153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.0999 0.3134
Brugia malayi TAR-binding protein 0.0266 0.3189 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0999 0.288
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0336 0.0968
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0401 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0413 0.1296
Loa Loa (eye worm) RNA binding protein 0.0266 0.3189 1
Leishmania major hypothetical protein, conserved 0.0052 0.0401 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.215 0.215
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0401 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0191 0.06
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0401 0.5
Schistosoma mansoni tar DNA-binding protein 0.0266 0.3189 0.9191
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0999 0.3134
Loa Loa (eye worm) hypothetical protein 0.0052 0.0401 0.1258
Loa Loa (eye worm) hypothetical protein 0.0036 0.0194 0.0607
Loa Loa (eye worm) hypothetical protein 0.0047 0.0336 0.1053
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0336 0.1053
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0421 0.1321
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0421 0.0421
Loa Loa (eye worm) TAR-binding protein 0.0266 0.3189 1
Brugia malayi mbt repeat family protein 0.0047 0.0336 0.1053
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0336 0.1053
Schistosoma mansoni hypothetical protein 0.0288 0.3469 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0999 0.0999
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0413 0.1296
Brugia malayi hypothetical protein 0.0034 0.0159 0.05
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0336 0.0336
Schistosoma mansoni tar DNA-binding protein 0.0266 0.3189 0.9191
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0191 0.06
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0401 0.5
Schistosoma mansoni hypothetical protein 0.0023 0.0025 0.0072
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0336 0.1053
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0235 0.0677
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0025 0.0078

Activities

No activities found for this compound.

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

No literature references available for this target.

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