Detailed information for compound 320664

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.567 | Formula: C24H26N6O2S
  • H donors: 0 H acceptors: 5 LogP: 2.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)CC(CN2Cc1cncn1C)N(S(=O)(=O)c1ccccn1)CC(=C)C
  • InChi: 1S/C24H26N6O2S/c1-18(2)14-30(33(31,32)24-6-4-5-9-27-24)21-11-20-10-19(12-25)7-8-23(20)29(15-21)16-22-13-26-17-28(22)3/h4-10,13,17,21H,1,11,14-16H2,2-3H3
  • InChiKey: PZCCBYWNHZAHAG-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
Rattus norvegicus Protein farnesyltransferase 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva 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
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
Cryptosporidium parvum farnesyltransferase 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
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis 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
Echinococcus multilocularis protein farnesyltransferase subunit beta 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
Schistosoma mansoni protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Prenyltransferase 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 protein farnesyltransferase alpha subunit 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
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 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
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing 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
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
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 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
Leishmania infantum farnesyltransferase beta subunit 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
Plasmodium berghei protein farnesyltransferase subunit alpha, putative 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
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
Trypanosoma brucei protein farnesyltransferase beta subunit 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
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
Leishmania donovani 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_128081 All targets in OG5_128081
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative 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
Trichomonas vaginalis type I geranylgeranyltransferase 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 braziliensis farnesyltransferase beta subunit 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
Echinococcus granulosus 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
Loa Loa (eye worm) prenyltransferase alpha subunit repeat 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 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
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Rab geranylgeranyltransferase 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
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum hypothetical protein 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
Trypanosoma cruzi protein farnesyltransferase, 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
Theileria parva farnesyltransferase 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, 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
Leishmania major farnesyltransferase beta subunit 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
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit 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
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0075 0.0323 0.0513
Trypanosoma brucei lanosterol synthase 0.0074 0.0303 0.8453
Giardia lamblia Rab geranylgeranyltransferase 0.0218 0.2697 1
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.0303 0.8453
Toxoplasma gondii hypothetical protein 0.0143 0.1451 1
Giardia lamblia Rab geranylgeranyltransferase 0.0075 0.0323 0.0513
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0075 0.0323 0.0513
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0323 1
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.0303 0.8453
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0218 0.2697 0.2664
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0218 0.2697 1
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0323 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.2697 1
Toxoplasma gondii hypothetical protein 0.0075 0.0323 0.1023
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0218 0.2697 0.2552
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0075 0.0323 0.0513
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0075 0.0323 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0218 0.2697 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0218 0.2697 1
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0075 0.0323 0.0513
Schistosoma mansoni retinoic acid receptor RXR 0.0657 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0218 0.2697 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0075 0.0323 0.0513
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0075 0.0323 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0218 0.2697 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0075 0.0323 0.0137
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0632 0.9588 1
Onchocerca volvulus 0.0075 0.0323 0.5
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0075 0.0323 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0075 0.0323 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0075 0.0323 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0075 0.0323 0.0131
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0218 0.2697 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0075 0.0323 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0218 0.2697 0.2552
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0074 0.0303 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0218 0.2697 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0075 0.0323 1
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0323 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0075 0.0323 0.0137
Leishmania major farnesyltransferase beta subunit 0.0067 0.0195 0.6023
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.1451 0.502
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0218 0.2697 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0075 0.0323 0.0513
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0075 0.0323 0.0131
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0075 0.0323 0.0131

Activities

Activity type Activity value Assay description Source Reference
Cellular reversion (functional) = 85 % Percentage cellular reversion of H-ras transformed Rat-1 cells at 100 nM ChEMBL. 15780629
Cellular reversion (functional) = 85 % Percentage cellular reversion of H-ras transformed Rat-1 cells at 100 nM ChEMBL. 15780629
IC50 (binding) = 0.9 nM Inhibition of human farnesyltransferase ChEMBL. 15780629
IC50 (binding) = 0.9 nM Inhibition of human farnesyltransferase ChEMBL. 15780629
IC50 (functional) = 60 nM Inhibition of cellular reversion in H-ras transformed Rat-1 cells ChEMBL. 15780629
IC50 (functional) = 60 nM Inhibition of cellular reversion in H-ras transformed Rat-1 cells ChEMBL. 15780629

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.

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