Detailed information for compound 320594

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.44 | Formula: C27H18F7N3O
  • H donors: 0 H acceptors: 2 LogP: 6.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1c1ccccc1C(F)(F)F)C(c1cncn1C)OCc1ccc(c(c1)F)C(F)(F)F
  • InChi: 1S/C27H18F7N3O/c1-37-15-36-13-24(37)25(38-14-16-6-9-22(23(28)10-16)27(32,33)34)17-7-8-18(12-35)20(11-17)19-4-2-3-5-21(19)26(29,30)31/h2-11,13,15,25H,14H2,1H3
  • InChiKey: LYWHAXRXIYZSRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References
Bos taurus Geranylgeranyl transferase type I Starlite/ChEMBL References
Mus musculus farnesyltransferase, CAAX box, beta Starlite/ChEMBL References
Bos taurus Protein farnesyltransferase 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
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania braziliensis farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
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
Plasmodium berghei protein farnesyltransferase subunit alpha, putative 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
Schistosoma mansoni protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_129786 All targets in OG5_129786
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 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
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein Get druggable targets OG5_128081 All targets in OG5_128081
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Theileria parva farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni 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_128081 All targets in OG5_128081
Trypanosoma brucei protein farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis protein prenyltransferase alpha subunit repeat domain 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
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Echinococcus granulosus protein farnesyltransferase alpha subunit 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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania major farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania infantum farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania donovani farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Entamoeba histolytica protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis 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 vivax conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
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
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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase alpha subunit 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
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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania braziliensis farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 349 aa 24.9 %
Onchocerca volvulus FAD-linked sulfhydryl oxidase ALR homolog Geranylgeranyl transferase type I   377 aa 319 aa 27.6 %
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Geranylgeranyl transferase type I   377 aa 349 aa 25.5 %
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 %
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Geranylgeranyl transferase type I   377 aa 361 aa 26.3 %
Schistosoma mansoni protein farnesyltransferase subunit beta Geranylgeranyl transferase type I   377 aa 381 aa 25.7 %
Trypanosoma brucei protein farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 361 aa 26.3 %
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Geranylgeranyl transferase type I   377 aa 327 aa 28.7 %
Onchocerca volvulus Geranylgeranyl transferase type I   377 aa 327 aa 28.1 %
Leishmania major farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 352 aa 26.1 %
Dictyostelium discoideum protein farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 370 aa 27.3 %
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Geranylgeranyl transferase type I   377 aa 361 aa 26.6 %
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 349 aa 26.1 %
Leishmania mexicana farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 340 aa 25.9 %
Leishmania donovani farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 350 aa 26.3 %
Trypanosoma cruzi protein farnesyltransferase, putative Geranylgeranyl transferase type I   377 aa 303 aa 28.4 %
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 %
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative Geranylgeranyl transferase type I   377 aa 357 aa 25.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0243 1 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0243 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0243 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.022 0.7719 0.7719
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0243 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0243 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.0243 1 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0243 1 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.022 0.7719 0.6646
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.022 0.7719 0.7719
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.022 0.7719 0.7719
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0184 0.4125 0.5
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0243 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.022 0.7719 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0243 1 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.022 0.7719 0.7619
Schistosoma mansoni protein farnesyltransferase subunit beta 0.022 0.7719 0.6646
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.022 0.7719 0.6646
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.022 0.7719 0.7719
Echinococcus granulosus protein farnesyltransferase subunit beta 0.022 0.7719 0.6646
Loa Loa (eye worm) hypothetical protein 0.0243 1 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0243 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.022 0.7719 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.022 0.7719 0.6646
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0175 0.3201 0.3201
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.022 0.7719 0.7719
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.022 0.7719 0.6646
Trypanosoma brucei protein farnesyltransferase beta subunit 0.022 0.7719 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0243 1 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.022 0.7719 1
Leishmania major farnesyltransferase beta subunit 0.022 0.7719 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.022 0.7719 0.7719

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 1000 nM Effective concentration against H-ras processing in transformed NIH3T3 cells ChEMBL. 15582430
EC50 (functional) > 1000 nM Effective concentration against H-ras processing in transformed NIH3T3 cells ChEMBL. 15582430
IC50 (binding) = 6.1 nM Inhibition of Bovine farnesyl transeferase ChEMBL. 15582430
IC50 (binding) = 6.1 nM Inhibition of Bovine farnesyl transeferase ChEMBL. 15582430
IC50 (binding) = 160 nM Inhibition of Bovine Geranyl geranyl transeferase ChEMBL. 15582430
IC50 (binding) = 160 nM Inhibition of Bovine Geranyl geranyl transeferase ChEMBL. 15582430

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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