Detailed information for compound 1094705

Basic information

Technical information
  • TDR Targets ID: 1094705
  • Name: (Z)-3-(3-fluoro-4-methoxyphenyl)-2-propoxy-1- (3,4,5-trimethoxyphenyl)prop-2-en-1-one
  • MW: 404.429 | Formula: C22H25FO6
  • H donors: 0 H acceptors: 1 LogP: 4.75 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCO/C(=C\c1ccc(c(c1)F)OC)/C(=O)c1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C22H25FO6/c1-6-9-29-18(11-14-7-8-17(25-2)16(23)10-14)21(24)15-12-19(26-3)22(28-5)20(13-15)27-4/h7-8,10-13H,6,9H2,1-5H3/b18-11-
  • InChiKey: VPEOOMJKXMJVJH-WQRHYEAKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-3-(3-fluoro-4-methoxy-phenyl)-2-propoxy-1-(3,4,5-trimethoxyphenyl)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
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Loa Loa (eye worm) TAR-binding protein 0.0063 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0504 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.2052 0.1537
Echinococcus multilocularis GPCR, family 2 0.0016 0.2052 0.1537
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.7745 0.7522
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.511 0.5058
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.2052 0.1537
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0901 0.0311
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0504 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.511 0.4637
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.2052 0.1265
Brugia malayi CXXC zinc finger family protein 0.0028 0.4215 0.3655
Echinococcus granulosus cpg binding protein 0.003 0.4488 0.4131
Loa Loa (eye worm) hypothetical protein 0.0049 0.7745 0.7522
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.2052 0.1537
Brugia malayi RNA recognition motif domain containing protein 0.0063 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0504 1
Schistosoma mansoni cpg binding protein 0.003 0.4488 0.443
Echinococcus granulosus GPCR family 2 0.0016 0.2052 0.1537
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Echinococcus granulosus tar DNA binding protein 0.0063 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.4215 0.3642
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.1968
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.511 0.4626
Onchocerca volvulus 0.0028 0.4215 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0504 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.7745 0.7527
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Schistosoma mansoni cpg binding protein 0.003 0.4488 0.443
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.1968
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.2052 0.1537
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0504 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.2052 0.1265
Echinococcus multilocularis tar DNA binding protein 0.0063 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.1968
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0901 0.0311
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.7745 0.7527
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0504 1
Brugia malayi TAR-binding protein 0.0063 1 1
Schistosoma mansoni cpg binding protein 0.0028 0.4215 0.4154
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.2052 0.1283
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0504 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0609 0.0509
Echinococcus multilocularis cpg binding protein 0.003 0.4488 0.4131
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.9594 0.959
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.2052 0.1283
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0504 1
Trichomonas vaginalis helicase, putative 0.0006 0.0504 1
Schistosoma mansoni hypothetical protein 0.0016 0.2052 0.1968
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.8507 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.02 uM Antiproliferative activity against human K562 cells after 5 days by MTT assay ChEMBL. 19837593

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19837593

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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