Detailed information for compound 29097

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.494 | Formula: C26H24N4O2
  • H donors: 0 H acceptors: 2 LogP: 3.66 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CN2CCN1c1cccc3c1cc(cc3)Oc1cccc(Cn3c(CC2)cnc3)c1
  • InChi: 1S/C26H24N4O2/c31-26-17-28-10-9-21-15-27-18-29(21)16-19-3-1-5-22(13-19)32-23-8-7-20-4-2-6-25(24(20)14-23)30(26)12-11-28/h1-8,13-15,18H,9-12,16-17H2
  • InChiKey: BJSYVDIHBYVMSH-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
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
Babesia bovis prenyltransferase and squalene oxidase repeat family protein 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
Plasmodium vivax conserved Plasmodium protein, unknown function 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
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 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
Leishmania donovani farnesyltransferase beta subunit 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
Echinococcus granulosus protein farnesyltransferase subunit beta 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
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 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
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium knowlesi conserved Plasmodium protein, unknown function 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
Schistosoma mansoni 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
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium berghei protein farnesyltransferase subunit beta, putative 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
Leishmania infantum farnesyltransferase beta subunit 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
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 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
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
Trypanosoma cruzi protein farnesyltransferase, 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
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative 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
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
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit 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
Trypanosoma brucei protein farnesyltransferase 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
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_129786 All targets in OG5_129786
Leishmania braziliensis farnesyltransferase beta subunit 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 major farnesyltransferase beta subunit 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 mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
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
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 I beta subunit, putative 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
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) 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
Entamoeba histolytica protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081

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
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0158 0.2689 0.4214
Loa Loa (eye worm) glutamate receptor 2 0.0104 0.073 0.0006
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0111 0.1 0.1567
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0111 0.1 0.1567
Schistosoma mansoni glutamate receptor AMPA 0.0104 0.073 0.001
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0111 0.1 0.1567
Trypanosoma cruzi lanosterol synthase, putative 0.011 0.0963 0.0258
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0258 0.6381 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0104 0.0724 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0111 0.1 0.1567
Loa Loa (eye worm) hypothetical protein 0.0357 1 1
Schistosoma mansoni glutamate receptor kainate 0.0104 0.073 0.001
Schistosoma mansoni glutamate receptor NMDA 0.0158 0.2689 0.3473
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0357 1 1
Echinococcus multilocularis glutamate receptor 2 0.0111 0.1 0.1567
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0111 0.1 0.1567
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0111 0.1 0.1567
Echinococcus multilocularis nmda type glutamate receptor 0.0115 0.1136 0.178
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0258 0.6381 1
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0258 0.6381 1
Leishmania major C-8 sterol isomerase-like protein 0.0357 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0258 0.6381 0.6099
Schistosoma mansoni glutamate receptor kainate 0.0104 0.073 0.001
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0104 0.0724 0.1135
Trypanosoma cruzi lanosterol synthase, putative 0.011 0.0963 0.0258
Loa Loa (eye worm) glutamate receptor 1 0.0104 0.073 0.0006
Echinococcus granulosus glutamate NMDA receptor subunit 0.0158 0.2689 0.4214
Schistosoma mansoni glutamate receptor kainate 0.0104 0.073 0.001
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0258 0.6381 1
Echinococcus multilocularis glutamate receptor 2 0.0104 0.073 0.1143
Giardia lamblia Prenyltransferase 0.0104 0.0724 0.5
Schistosoma mansoni ATP-binding cassette transporter 0.0104 0.073 0.001
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0104 0.0724 0.1135
Echinococcus granulosus glutamate receptor 2 0.0111 0.1 0.1567
Schistosoma mansoni glutamate receptor NMDA 0.0188 0.3799 0.5435
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0104 0.0724 0.5
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0258 0.6381 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0111 0.1 0.1567
Brugia malayi Glutamate receptor 2 precursor 0.0104 0.073 0.0006
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0104 0.0724 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0104 0.073 0.001
Trypanosoma brucei C-8 sterol isomerase, putative 0.0357 1 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0258 0.6381 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.011 0.0963 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0104 0.073 0.0006
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0111 0.1 0.1567
Echinococcus granulosus nmda type glutamate receptor 0.0115 0.1136 0.178
Loa Loa (eye worm) hypothetical protein 0.0183 0.361 0.3112
Trypanosoma brucei lanosterol synthase 0.011 0.0963 0.0258
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0258 0.6381 0.6099

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) 0 nM Inhibition of Farnesyltransferase in v-Ha-ras-transformed Rat1 cells using Radiotracer Assay (CRAFT1); ND=Not determined ChEMBL. 11965368
IC50 (functional) = 8 nM Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. ChEMBL. 11965368
IC50 (functional) = 8 nM Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. ChEMBL. 11965368
IC50 (functional) = 509 nM Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-terminus of human K-Ras. ChEMBL. 11965368
IC50 (functional) = 509 nM Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-terminus of human K-Ras. ChEMBL. 11965368

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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