Detailed information for compound 178667

Basic information

Technical information
  • TDR Targets ID: 178667
  • Name: 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyrid in-3-ylphenyl)ethanol
  • MW: 359.396 | Formula: C22H18FN3O
  • H donors: 1 H acceptors: 3 LogP: 2.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(c1cccc(c1)c1cccnc1)(Cn1cncc1)O
  • InChi: 1S/C22H18FN3O/c23-21-8-6-19(7-9-21)22(27,15-26-12-11-25-16-26)20-5-1-3-17(13-20)18-4-2-10-24-14-18/h1-14,16,27H,15H2
  • InChiKey: FHFIZGGBCUBMLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-fluorophenyl)-2-imidazol-1-yl-1-[3-(3-pyridyl)phenyl]ethanol
  • 1-(4-fluorophenyl)-2-(1-imidazolyl)-1-[3-(3-pyridyl)phenyl]ethanol

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
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase family 2, putative 0.013 0.0813 0.2456
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0307 0.2909 0.2933
Plasmodium falciparum plasmepsin X 0.0072 0.013 0.0448
Plasmodium falciparum plasmepsin I 0.0307 0.2909 1
Onchocerca volvulus 0.0072 0.013 0.5
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0192 0.155 0.1498
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0123 0.0728 0.2503
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0307 0.2909 0.2816
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0085 0.028 0.0961
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0085 0.028 0.0961
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0082 0.0283
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0191 0.1541 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0307 0.2909 1
Plasmodium falciparum plasmepsin IV 0.0307 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0615 0.0512
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0307 0.2909 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0191 0.1541 1
Plasmodium falciparum plasmepsin II 0.0307 0.2909 1
Plasmodium vivax plasmepsin IV, putative 0.0307 0.2909 1
Plasmodium falciparum plasmepsin VI 0.0307 0.2909 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0123 0.0728 0.2503
Plasmodium falciparum plasmepsin III 0.0072 0.013 0.0448
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0307 0.2909 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0307 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0854 0.9407 0.9792
Loa Loa (eye worm) hypothetical protein 0.0307 0.2909 0.2933
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0871 0.9604 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0123 0.0728 0.2503
Schistosoma mansoni cathepsin D (A01 family) 0.0904 1 1
Plasmodium falciparum plasmepsin V 0.0072 0.013 0.0448
Plasmodium falciparum plasmepsin VIII, putative 0.0072 0.013 0.0448
Schistosoma mansoni ubiquitin-specific peptidase 7 (C19 family) 0.0192 0.155 0.1438
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0192 0.155 0.1498
Toxoplasma gondii aspartyl protease 0.0072 0.013 0.0448
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0191 0.1541 0.5296
Plasmodium falciparum plasmepsin VII 0.0072 0.013 0.0448
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0871 0.9604 1
Trypanosoma cruzi ubiquitin hydrolase, putative 0.0191 0.1541 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0085 0.028 0.0961
Toxoplasma gondii aspartyl protease ASP1 0.0307 0.2909 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0072 0.013 0.0448
Trichomonas vaginalis ubiquitin specific protease, putative 0.0078 0.0195 0.0671
Toxoplasma gondii aspartyl protease ASP3 0.0072 0.013 0.0448
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 7 0.0192 0.155 0.3742
Plasmodium falciparum plasmepsin IX 0.0072 0.013 0.0448
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 7 0.0192 0.155 0.3742
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0307 0.2909 1
Onchocerca volvulus 0.0072 0.013 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 64 % In vivo inhibitory activity in a phorbol myristyl acetate (PMA) ear edema model at a dose of 100 microg/ear ChEMBL. 1507204
Inhibition (functional) = 64 % In vivo inhibitory activity in a phorbol myristyl acetate (PMA) ear edema model at a dose of 100 microg/ear ChEMBL. 1507204
logP (ADMET) = 3.22 Partition coefficient (logP) ChEMBL. 1507204

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

1 literature reference was collected for this gene.

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