Detailed information for compound 270594

Basic information

Technical information
  • TDR Targets ID: 270594
  • Name: 3-(3-chlorophenyl)-4-[[(4-cyanophenyl)-(1,3-t hiazol-5-yl)methoxy]methyl]benzonitrile
  • MW: 441.932 | Formula: C25H16ClN3OS
  • H donors: 0 H acceptors: 3 LogP: 5.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C(c1scnc1)OCc1ccc(cc1c1cccc(c1)Cl)C#N
  • InChi: 1S/C25H16ClN3OS/c26-22-3-1-2-20(11-22)23-10-18(13-28)6-9-21(23)15-30-25(24-14-29-16-31-24)19-7-4-17(12-27)5-8-19/h1-11,14,16,25H,15H2
  • InChiKey: LFEQCNDTFILPLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3-chlorophenyl)-4-[[(4-cyanophenyl)-thiazol-5-yl-methoxy]methyl]benzonitrile
  • 3-(3-chlorophenyl)-4-[[(4-cyanophenyl)-(5-thiazolyl)methoxy]methyl]benzonitrile
  • 3-(3-chlorophenyl)-4-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]benzenecarbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis farnesyltransferase 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
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase 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
Trichomonas vaginalis protein farnesyltransferase 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
Schistosoma mansoni protein farnesyltransferase alpha subunit 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
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein 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
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit 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
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit alpha 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
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase 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
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
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) matrixin family protein 0.0292 0.0737 0.0719
Echinococcus multilocularis laminin 0.0522 0.234 0.2308
Brugia malayi astacin protease protein 30 0.0203 0.0112 0.0478
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0479 0.2044 0.2011
Toxoplasma gondii calcium binding egf domain-containing protein 0.0522 0.234 0.5
Brugia malayi Matrixin family protein 0.0319 0.0921 0.3938
Brugia malayi Nematode astacin protease protein 30 0.0203 0.0112 0.0478
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.0041 0.0176
Loa Loa (eye worm) hypothetical protein 0.0203 0.0112 0.0093
Brugia malayi Calcium binding EGF domain containing protein 0.0522 0.234 1
Loa Loa (eye worm) DPY-31 protein 0.0203 0.0112 0.0093
Brugia malayi Calcium binding EGF domain containing protein 0.019 0.002 0.0084
Loa Loa (eye worm) hypothetical protein 0.0469 0.1972 0.1957
Loa Loa (eye worm) hypothetical protein 0.0193 0.0041 0.0022
Onchocerca volvulus Arrow homolog 0.0469 0.1972 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.0041 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0292 0.0737 0.3738
Toxoplasma gondii calcium binding egf domain-containing protein 0.0522 0.234 0.5
Schistosoma mansoni egf-like domain protein 0.0469 0.1972 0.1972
Brugia malayi Fibulin-1 precursor 0.0522 0.234 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.0469 0.1972 0.1957
Onchocerca volvulus 0.0203 0.0112 0.0568
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.0041 0.5
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0203 0.0112 0.0478
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.0041 0.0041
Loa Loa (eye worm) AStacin protease 0.1012 0.5762 0.5754
Loa Loa (eye worm) matrixin family protein 0.0319 0.0921 0.0904
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0203 0.0112 0.0093
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.0041 0.0022
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1618 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0041 0.5
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0469 0.1972 0.1957
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0469 0.1972 0.843
Onchocerca volvulus Matrilysin homolog 0.0292 0.0737 0.3738
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.0041 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.0041 0.5
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1618 1 1
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0203 0.0112 0.0478
Echinococcus multilocularis Tolloid protein 1 0.1618 1 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0522 0.234 0.2325
Loa Loa (eye worm) hypothetical protein 0.0659 0.3299 0.3285
Loa Loa (eye worm) hypothetical protein 0.1552 0.954 0.9539
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0479 0.2044 0.2011
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0041 0.5
Brugia malayi Nematode astacin protease protein 30 0.0203 0.0112 0.0478
Echinococcus multilocularis fibrillin 1 0.0522 0.234 0.2308
Echinococcus granulosus laminin 0.0522 0.234 0.2308
Onchocerca volvulus Putative cubilin 0.019 0.002 0.0099
Loa Loa (eye worm) hypothetical protein 0.0522 0.234 0.2325

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) ND 0 nM Effective concentration required for inhibition of farnesylation of Ras protein in NIH3T3 cells ChEMBL. 14736242
IC50 (binding) = -5.39 Inhibition of FTase ChEMBL. 16455255
Inhibition (binding) = 4 nM Inhibitory activity against Farnesyltransferase (FTase) ChEMBL. 14736242
Inhibition (binding) = 4 nM Inhibitory activity against Farnesyltransferase (FTase) ChEMBL. 14736242
Inhibition (binding) > 10000 nM Inhibitory concentration required against geranylgeranyltransferase-I (GGTase-I) ChEMBL. 14736242
Inhibition (binding) > 10000 nM Inhibitory concentration required against geranylgeranyltransferase-I (GGTase-I) ChEMBL. 14736242
Log IC50 (binding) = 5.39 Inhibition of FTase ChEMBL. 16455255

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

2 literature references were collected for this gene.

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