Detailed information for compound 27183

Basic information

Technical information
  • TDR Targets ID: 27183
  • Name: 2-(4-chlorophenoxy)-4-(imidazol-1-ylmethyl)be nzonitrile
  • MW: 309.75 | Formula: C17H12ClN3O
  • H donors: 0 H acceptors: 2 LogP: 3.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1Oc1ccc(cc1)Cl)Cn1cncc1
  • InChi: 1S/C17H12ClN3O/c18-15-3-5-16(6-4-15)22-17-9-13(1-2-14(17)10-19)11-21-8-7-20-12-21/h1-9,12H,11H2
  • InChiKey: MDOOQICNCKEHFW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chlorophenoxy)-4-(1-imidazolylmethyl)benzonitrile
  • 2-(4-chlorophenoxy)-4-(imidazol-1-ylmethyl)benzenecarbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References
Homo sapiens protein geranylgeranyltransferase type I, beta subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
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
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_129786 All targets in OG5_129786
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) 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
Echinococcus granulosus geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica geranylgeranyl transferase beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei protein farnesyltransferase beta subunit protein geranylgeranyltransferase type I, beta subunit 377 aa 361 aa 26.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.024 0.0632 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.024 0.0632 0.1067
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.024 0.0632 0.1067
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.0187 0.5
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.024 0.0632 0.0775
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.0187 0.0451
Loa Loa (eye worm) hypothetical protein 0.0444 0.2539 0.2539
Echinococcus granulosus integrin alpha 3 0.0617 0.4159 1
Echinococcus multilocularis integrin beta 2 0.0247 0.0698 0.1679
Schistosoma mansoni integrin alpha 0.0804 0.5918 1
Echinococcus multilocularis integrin alpha ps 0.0361 0.1759 0.4231
Echinococcus multilocularis integrin alpha ps 0.0361 0.1759 0.4231
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.024 0.0632 0.1519
Schistosoma mansoni integrin beta subunit 0.0197 0.0223 0.0377
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.0187 0.0451
Loa Loa (eye worm) hypothetical protein 0.0632 0.4298 0.4298
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.024 0.0632 0.1519
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.0187 0.0317
Echinococcus multilocularis integrin alpha 3 0.0617 0.4159 1
Echinococcus granulosus integrin alpha ps 0.0361 0.1759 0.4231
Echinococcus granulosus integrin beta 2 0.0247 0.0698 0.1679
Loa Loa (eye worm) hypothetical protein 0.0188 0.014 0.014
Loa Loa (eye worm) integrin beta-2 0.0334 0.151 0.151
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.0187 0.0187
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.0187 0.5
Loa Loa (eye worm) hypothetical protein 0.0608 0.4082 0.4082
Schistosoma mansoni integrin alpha-ps 0.0188 0.014 0.0236
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0608 0.4082 0.6796
Brugia malayi Integrin alpha pat-2 precursor 0.0804 0.5918 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.024 0.0632 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.0187 0.0187
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.024 0.0632 0.0632
Brugia malayi Integrin beta pat-3 precursor 0.0334 0.151 0.2307
Schistosoma mansoni integrin alpha-ps 0.0361 0.1759 0.2973
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.0187 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 38 nM Inhibition of rate of incorporation of [3H]-FPP into recombinant Ras-CVIM by human farnesyltransferase. ChEMBL. 11392531
IC50 (binding) = 38 nM Inhibition of rate of incorporation of [3H]-FPP into recombinant Ras-CVIM by human farnesyltransferase. ChEMBL. 11392531
IC50 (binding) = 920 nM Inhibition of rate of incorporation of [3H]-GGPP into a biotinylated peptide corresponding to C-terminus of human Ki-Ras by human geranylgeranyl-transferase type I. ChEMBL. 11392531
IC50 (binding) = 920 nM Inhibition of rate of incorporation of [3H]-GGPP into a biotinylated peptide corresponding to C-terminus of human Ki-Ras by human geranylgeranyl-transferase type I. ChEMBL. 11392531

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.