Detailed information for compound 319485

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.576 | Formula: C32H27N3O
  • H donors: 0 H acceptors: 2 LogP: 6.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1c1ccccc1C)C(c1cncn1C)OCc1ccc(cc1)c1ccccc1
  • InChi: 1S/C32H27N3O/c1-23-8-6-7-11-29(23)30-18-27(16-17-28(30)19-33)32(31-20-34-22-35(31)2)36-21-24-12-14-26(15-13-24)25-9-4-3-5-10-25/h3-18,20,22,32H,21H2,1-2H3
  • InChiKey: JLQFXAIOFXEXRU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Protein farnesyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, 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
Plasmodium knowlesi conserved Plasmodium protein, unknown function 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
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 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
Leishmania major farnesyltransferase beta subunit 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
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase subunit beta 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
Leishmania braziliensis farnesyltransferase beta subunit 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
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax conserved Plasmodium protein, unknown function 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
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Theileria parva farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Prenyltransferase 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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type 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
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative 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_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
Echinococcus granulosus protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit beta 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
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081

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
Trypanosoma cruzi polyprenyl synthase, putative 0.0375 0.3435 0.3435
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0963 1 1
Trypanosoma brucei lanosterol synthase 0.0074 0.0073 0.0073
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0963 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0963 1 1
Leishmania major polyprenyl synthase, putative 0.0375 0.3435 0.3435
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0286 0.2443 0.5
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0963 1 1
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0377 0.3464 0.1351
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0375 0.3435 0.3435
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0377 0.3464 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0963 1 1
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.0073 0.0073
Trypanosoma cruzi polyprenyl synthase, putative 0.0375 0.3435 0.3435
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0375 0.3435 0.3435
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0963 1 1
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0286 0.2443 0.2443
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0286 0.2443 0.2443
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.0073 0.0073
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0286 0.2443 0.2443
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0286 0.2443 0.2388
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0377 0.3464 0.3416
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0377 0.3464 0.3416
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0963 1 1
Leishmania major solanesyl-diphosphate synthase, putative 0.0286 0.2443 0.2443
Schistosoma mansoni glutathione synthetase 0.0286 0.2443 0.2443
Loa Loa (eye worm) polyprenyl synthetase 0.0286 0.2443 0.2443
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0286 0.2443 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0286 0.2443 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0963 1 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0286 0.2443 0.2443
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0286 0.2443 0.2443
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0963 1 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0286 0.2443 0.2443
Schistosoma mansoni trans-prenyltransferase 0.0286 0.2443 0.2443
Leishmania major farnesyl pyrophosphate synthase 0.0963 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0963 1 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0375 0.3435 0.3435
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0286 0.2443 0.2443
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0286 0.2443 0.2443
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0375 0.3435 0.3435
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0963 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0963 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0963 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0377 0.3464 1
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0286 0.2443 0.2443
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0286 0.2443 1
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0286 0.2443 0.2443
Giardia lamblia Farnesyl diphosphate synthase 0.0963 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0963 1 1
Brugia malayi Polyprenyl synthetase family protein 0.0286 0.2443 0.2443
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0963 1 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0963 1 1
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0375 0.3435 0.3435
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0286 0.2443 0.2443
Treponema pallidum octaprenyl-diphosphate synthase 0.0375 0.3435 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13 nM Inhibition of Bovine farnesyl transeferase ChEMBL. 15582430
IC50 (binding) = 13 nM Inhibition of Bovine farnesyl 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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