Detailed information for compound 323137

Basic information

Technical information
  • TDR Targets ID: 323137
  • Name: 4-[[4-(3-chlorophenyl)-6-oxo-1H-pyridin-3-yl] methoxy-(3-methylimidazol-4-yl)methyl]benzoni trile
  • MW: 430.886 | Formula: C24H19ClN4O2
  • H donors: 1 H acceptors: 4 LogP: 3.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C(c1cncn1C)OCc1cnc(cc1c1cccc(c1)Cl)O
  • InChi: 1S/C24H19ClN4O2/c1-29-15-27-13-22(29)24(17-7-5-16(11-26)6-8-17)31-14-19-12-28-23(30)10-21(19)18-3-2-4-20(25)9-18/h2-10,12-13,15,24H,14H2,1H3,(H,28,30)
  • InChiKey: ZTECIVPBVZJKDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[4-(3-chlorophenyl)-6-oxo-1H-pyridin-3-yl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile
  • 4-[[4-(3-chlorophenyl)-6-oxo-1H-pyridin-3-yl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile
  • 4-[[4-(3-chlorophenyl)-6-keto-1H-pyridin-3-yl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Geranylgeranyl transferase type I Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_129786 All targets in OG5_129786
Entamoeba histolytica geranylgeranyl transferase beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Echinococcus granulosus geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Schistosoma japonicum ko:K05955 protein geranylgeranyltransferase type I, beta subunit [EC:2.5.1.59], putative Get druggable targets OG5_129786 All targets in OG5_129786
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Geranylgeranyl transferase type I   377 aa 378 aa 23.8 %
Schistosoma mansoni protein farnesyltransferase subunit beta Geranylgeranyl transferase type I   377 aa 381 aa 25.7 %
Leishmania major farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 352 aa 26.1 %
Leishmania donovani farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 350 aa 26.3 %
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Geranylgeranyl transferase type I   377 aa 361 aa 26.3 %
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Geranylgeranyl transferase type I   377 aa 360 aa 24.2 %
Trypanosoma brucei protein farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 361 aa 26.3 %
Trypanosoma cruzi protein farnesyltransferase, putative Geranylgeranyl transferase type I   377 aa 303 aa 28.4 %
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 349 aa 26.1 %
Leishmania braziliensis farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 349 aa 24.9 %
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Geranylgeranyl transferase type I   377 aa 349 aa 25.5 %
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative Geranylgeranyl transferase type I   377 aa 357 aa 25.2 %
Leishmania mexicana farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 340 aa 25.9 %
Onchocerca volvulus FAD-linked sulfhydryl oxidase ALR homolog Geranylgeranyl transferase type I   377 aa 319 aa 27.6 %
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Geranylgeranyl transferase type I   377 aa 361 aa 26.6 %
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Geranylgeranyl transferase type I   377 aa 327 aa 28.7 %
Dictyostelium discoideum protein farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 370 aa 27.3 %
Onchocerca volvulus Geranylgeranyl transferase type I   377 aa 327 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis 0.0246 0.1928 0.1868
Brugia malayi fructose-1,6-bisphosphatase 0.0484 0.5414 0.5414
Leishmania major 0.0484 0.5414 0.5
Schistosoma mansoni tyrosine kinase 0.0428 0.459 0.455
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0254 0.2045 0.1986
Schistosoma mansoni tyrosine kinase 0.0423 0.4524 0.4484
Loa Loa (eye worm) TK/EGFR protein kinase 0.0796 1 1
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0484 0.5414 0.5414
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.012 0.0074 0.5
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0484 0.5414 0.538
Schistosoma mansoni tyrosine kinase 0.0254 0.2045 0.1986
Echinococcus granulosus insulin receptor 0.0254 0.2045 0.1986
Toxoplasma gondii fructose-bisphospatase II 0.0484 0.5414 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.012 0.0074 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0428 0.459 0.455
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0484 0.5414 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0484 0.5414 0.538
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.012 0.0074 0.0074
Echinococcus multilocularis epidermal growth factor receptor 0.0796 1 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0254 0.2045 0.2045
Schistosoma mansoni tyrosine kinase 0.0254 0.2045 0.1986
Echinococcus multilocularis insulin receptor 0.0254 0.2045 0.1986
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0484 0.5414 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0428 0.459 0.455
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0484 0.5414 1
Echinococcus granulosus epidermal growth factor receptor 0.0796 1 1
Schistosoma mansoni tyrosine kinase 0.0428 0.459 0.455
Schistosoma mansoni tyrosine kinase 0.0796 1 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0484 0.5414 0.538
Brugia malayi Protein kinase domain containing protein 0.0254 0.2045 0.2045
Schistosoma mansoni tyrosine kinase 0.0423 0.4524 0.4484
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.012 0.0074 0.0074
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0254 0.2045 0.1986
Echinococcus multilocularis epidermal growth factor receptor 0.0428 0.459 0.455
Schistosoma mansoni tyrosine kinase 0.0423 0.4524 0.4484

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0 nM Reduced farnesylation of H-ras transformed NIH3T3 cells; ND=Not determined ChEMBL. 15324873
IC50 (binding) = 11 nM Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase ChEMBL. 15324873
IC50 (binding) = 6200 nM inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide ChEMBL. 15324873
IC50 (binding) = 6200 nM inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide ChEMBL. 15324873

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.