Detailed information for compound 223097

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 509.986 | Formula: C29H24ClN5O2
  • H donors: 0 H acceptors: 4 LogP: 3.56 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1)C(c1cncn1C)OCc1c(cc(c(=O)n1CC1CC1)C#N)c1cccc(c1)Cl
  • InChi: 1S/C29H24ClN5O2/c1-34-18-33-15-26(34)28(21-9-7-19(13-31)8-10-21)37-17-27-25(22-3-2-4-24(30)11-22)12-23(14-32)29(36)35(27)16-20-5-6-20/h2-4,7-12,15,18,20,28H,5-6,16-17H2,1H3
  • InChiKey: XPKOMAYTINMMOL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, beta References
Homo sapiens protein geranylgeranyltransferase type I, beta subunit Starlite/ChEMBL References
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
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum farnesyltransferase 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
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Entamoeba histolytica geranylgeranyl transferase beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing 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
Neospora caninum hypothetical protein 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
Trypanosoma cruzi protein farnesyltransferase, 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
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
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
Entamoeba histolytica protein farnesyltransferase 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
Cryptosporidium hominis chain B, structure of fpt bound to ggpp 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
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 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
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative 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
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
Leishmania donovani farnesyltransferase beta subunit 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
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Rab geranylgeranyltransferase 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
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 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
Echinococcus multilocularis protein farnesyltransferase subunit beta 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
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis 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
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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 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 hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
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
Neospora caninum protein farnesyltranstransferase beta subunit, 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
Trypanosoma brucei protein farnesyltransferase beta subunit 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
Leishmania braziliensis farnesyltransferase 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
Echinococcus granulosus 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_128081 All targets in OG5_128081
Leishmania mexicana farnesyltransferase beta subunit 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 geranylgeranyl transferase type II beta subunit, putative 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
Plasmodium berghei protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, 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
Trichomonas vaginalis type I geranylgeranyltransferase 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
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
Theileria parva farnesyltransferase beta subunit, putative 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
Echinococcus granulosus geranylgeranyl transferase type I 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
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania major farnesyltransferase beta subunit 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 granulosus eukaryotic initiation factor 4A 0.0262 0.8185 0.8185
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0277 1 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0262 0.8185 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0262 0.8185 0.8185
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0262 0.8185 0.8185
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0262 0.8185 0.8185
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0262 0.8185 1
Treponema pallidum ATP-dependent RNA helicase 0.0262 0.8185 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0262 0.8185 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0262 0.8185 0.5
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0277 1 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0277 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0262 0.8185 0.5
Plasmodium falciparum eukaryotic initiation factor 4A 0.0262 0.8185 1
Brugia malayi eukaryotic initiation factor 4A 0.0262 0.8185 0.8185
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0262 0.8185 0.8185
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0277 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0277 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0262 0.8185 0.8185
Plasmodium vivax RNA helicase-1, putative 0.0262 0.8185 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0262 0.8185 0.8185
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0262 0.8185 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0262 0.8185 0.5
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0277 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0262 0.8185 0.8185
Loa Loa (eye worm) hypothetical protein 0.0262 0.8185 0.8185
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0262 0.8185 0.8185
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0262 0.8185 0.5
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0277 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0262 0.8185 0.8185
Leishmania major eukaryotic initiation factor 4a, putative 0.0262 0.8185 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 4.8 nM In vitro effective concentration of the compound against farnesyltransferase (FT) ChEMBL. 14592494
EC50 (binding) = 4.8 nM In vitro effective concentration of the compound against farnesyltransferase (FT) ChEMBL. 14592494
F (ADMET) NA 0 % Oral bioavailability in dog ChEMBL. 14592494
F (ADMET) NA 0 % Oral bioavailability in monkey ChEMBL. 14592494
IC50 (binding) = 0.5 nM In vitro inhibitory activity against farnesyltransferase (FT) ChEMBL. 14592494
IC50 (binding) = 0.5 nM In vitro inhibitory activity against farnesyltransferase (FT) ChEMBL. 14592494
IC50 (binding) = 2000 nM In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I ChEMBL. 14592494
IC50 (binding) = 2000 nM In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I ChEMBL. 14592494

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.