Detailed information for compound 413201

Basic information

Technical information
  • TDR Targets ID: 413201
  • Name: 1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl] pyridin-2-yl]pyrazole-4-carboxylic acid
  • MW: 410.425 | Formula: C24H18N4O3
  • H donors: 1 H acceptors: 5 LogP: 3.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1c1ccc(cc1)COCc1ccc(nc1)n1ncc(c1)C(=O)O
  • InChi: 1S/C24H18N4O3/c25-11-20-3-1-2-4-22(20)19-8-5-17(6-9-19)15-31-16-18-7-10-23(26-12-18)28-14-21(13-27-28)24(29)30/h1-10,12-14H,15-16H2,(H,29,30)
  • InChiKey: SQDFCTFOHPPJTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl]-2-pyridyl]pyrazole-4-carboxylic acid
  • 1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl]-2-pyridyl]-4-pyrazolecarboxylic acid
  • 1-[5-[[4-(2-cyanophenyl)benzyl]oxymethyl]-2-pyridyl]pyrazole-4-carboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens egl-9 family hypoxia-inducible factor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum 2OG-Fe(II) oxygenase family protein, putative Get druggable targets OG5_131326 All targets in OG5_131326
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131326 All targets in OG5_131326
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) vesicular acetylcholine transporter unc-17 0.0967 1 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.0967 1 1
Loa Loa (eye worm) hypothetical protein 0.0305 0.3032 0.3032
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0017 0 0.5
Leishmania major hypothetical protein, conserved 0.0017 0 0.5
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0017 0 0.5
Echinococcus granulosus vesicular acetylcholine transporter 0.0967 1 1
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.0017 0 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.0967 1 1
Leishmania major hypothetical protein, unknown function 0.0017 0 0.5
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0967 1 1
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0017 0 0.5
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0017 0 0.5
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.0017 0 0.5
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 100 uM Induction of human VEGF in HEK293 cells ChEMBL. 16908145
EC50 (functional) > 100 uM Induction of human VEGF in HEK293 cells ChEMBL. 16908145
IC50 (binding) = 0.19 uM Inhibition of human EGLN1 ChEMBL. 16908145
IC50 (binding) = 0.19 uM Inhibition of human EGLN1 ChEMBL. 16908145

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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