Detailed information for compound 414914

Basic information

Technical information
  • TDR Targets ID: 414914
  • Name: 5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimeth oxyphenyl)imidazole
  • MW: 358.364 | Formula: C19H19FN2O4
  • H donors: 0 H acceptors: 1 LogP: 3.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)n1cncc1c1ccc(c(c1)F)OC
  • InChi: 1S/C19H19FN2O4/c1-23-16-6-5-12(7-14(16)20)15-10-21-11-22(15)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11H,1-4H3
  • InChiKey: FAISKABSGVBZCD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3-fluoro-4-methoxy-phenyl)-1-(3,4,5-trimethoxyphenyl)imidazole
  • 5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-i midazole
  • NSC736359

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
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0067 0 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0072 1 1
Leishmania major hypothetical protein, conserved 0.0067 0 0.5
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0067 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0067 0 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0072 1 1
Schistosoma mansoni transient receptor potential channel 0.0067 0.0000076072 0.0000076073
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0 0.5
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0067 0 0.5
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0067 0 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0072 1 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0067 0 0.5
Toxoplasma gondii hypothetical protein 0.0067 0 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0000076072 0.0000076072
Onchocerca volvulus 0.0067 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0000076072 0.0000076072
Echinococcus granulosus transient receptor potential cation channel 0.0072 1 1
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0000076072 0.0000076072
Schistosoma mansoni transient receptor potential channel 0.0072 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0072 1 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0067 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0000076072 0.0000076072
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0067 0 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0067 0.0000076072 0.0000076072
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0067 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0067 0.0000076072 0.0000076073
Loa Loa (eye worm) hypothetical protein 0.0072 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0067 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0067 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0067 0 0.5
Toxoplasma gondii hypothetical protein 0.0067 0 0.5
Leishmania major hypothetical protein, unknown function 0.0067 0 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) < 0.01 microM Growth inhibition of human HCT15 cells after 3 days by crystal violet staining ChEMBL. 19954252
GI50 (functional) < 0.01 microM Growth inhibition of human NCI-H460 cells after 3 days by crystal violet staining ChEMBL. 19954252
GI50 (ADMET) < 0.01 uM Cytotoxicity against MDR HCT15 cells ChEMBL. 16950621
GI50 (ADMET) < 0.01 uM Cytotoxicity against NCI-H460 cells ChEMBL. 16950621
GI50 (ADMET) < 0.01 uM Cytotoxicity against MDR HCT15 cells ChEMBL. 16950621
GI50 (ADMET) < 0.01 uM Cytotoxicity against NCI-H460 cells ChEMBL. 16950621
IC50 (functional) = 0.45 microM Cytotoxicity against HUVEC after 72 hrs by crystal violet staining ChEMBL. 19954252
IC50 (functional) = 17 microM Cytotoxicity against HUVEC after 1 hr by crystal violet staining ChEMBL. 19954252
IC50 (functional) = 17.3 microM Vascular disrupting activity in HUVEC assessed as change in cell morphology with detachment form substrate after 1 hr by crystal violet staining-based inverted light microscopy ChEMBL. 19954252
Log TGI (ADMET) = 4.51 Cytotoxicity against NCI60 cell line ChEMBL. 16950621
Log TGI (functional) < 7.54 Tumor growth inhibition against HL60 cells ChEMBL. 16950621
pGI50 (ADMET) = 7.4 Cytotoxicity against NCI60 cell line ChEMBL. 16950621
TGI (functional) < -7.54 Tumor growth inhibition against HL60 cells ChEMBL. 16950621

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19954252

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

1 literature reference was collected for this gene.

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