Detailed information for compound 318226

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 498.599 | Formula: C27H26N6O2S
  • H donors: 0 H acceptors: 5 LogP: 3.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)CC(CN2Cc1cncn1C)N(S(=O)(=O)c1ccccn1)Cc1ccccc1
  • InChi: 1S/C27H26N6O2S/c1-31-20-29-16-25(31)19-32-18-24(14-23-13-22(15-28)10-11-26(23)32)33(17-21-7-3-2-4-8-21)36(34,35)27-9-5-6-12-30-27/h2-13,16,20,24H,14,17-19H2,1H3
  • InChiKey: NEOIEGUWAIIVDV-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
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References
Rattus norvegicus Protein farnesyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica protein farnesyltransferase 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
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
Cryptosporidium hominis chain B, structure of fpt bound to ggpp 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
Plasmodium berghei protein farnesyltransferase subunit beta, 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
Trichomonas vaginalis protein farnesyltransferase 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
Babesia bovis prenyltransferase and squalene oxidase repeat family protein 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
Plasmodium vivax farnesyltransferase 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
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, 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
Plasmodium falciparum protein farnesyltransferase subunit beta 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
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
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein 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
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
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis farnesyltransferase 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
Trichomonas vaginalis geranylgeranyl transferase type I 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
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
Theileria parva hypothetical protein 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
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit 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
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Prenyltransferase 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
Leishmania mexicana 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
Leishmania infantum farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit alpha, 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
Plasmodium vivax prenyltransferase alpha subunit, putative 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
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis protein farnesyltransferase subunit beta 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 knowlesi conserved Plasmodium protein, unknown function 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
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
Leishmania major farnesyltransferase beta subunit 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
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 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
Leishmania braziliensis farnesyltransferase beta subunit 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
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459

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 Protein prenyltransferase alpha subunit repeat, putative 0.0075 0.0011 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0218 0.1376 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0218 0.1376 0.1366
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0011 1
Echinococcus multilocularis carboxylesterase 5A 0.1121 1 1
Brugia malayi Carboxylesterase family protein 0.0189 0.1104 0.1094
Loa Loa (eye worm) hypothetical protein 0.0189 0.1104 0.1094
Schistosoma mansoni acetylcholinesterase 0.0189 0.1104 0.1094
Loa Loa (eye worm) carboxylesterase 0.0189 0.1104 0.1094
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0011 1
Echinococcus granulosus acetylcholinesterase 0.1121 1 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0218 0.1376 0.1366
Loa Loa (eye worm) hypothetical protein 0.0189 0.1104 0.1094
Echinococcus granulosus BC026374 protein S09 family 0.0189 0.1104 0.1094
Echinococcus multilocularis acetylcholinesterase 0.1121 1 1
Echinococcus multilocularis acetylcholinesterase 0.1121 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0218 0.1376 0.1366
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0075 0.0011 1
Onchocerca volvulus 0.0189 0.1104 1
Echinococcus multilocularis neuroligin 0.0189 0.1104 0.1094
Schistosoma mansoni BC026374 protein (S09 family) 0.0189 0.1104 0.1094
Loa Loa (eye worm) hypothetical protein 0.1121 1 1
Onchocerca volvulus 0.0189 0.1104 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0189 0.1104 0.1094
Loa Loa (eye worm) pre-B cell enhancing factor 0.0358 0.2709 0.2701
Mycobacterium ulcerans carboxylesterase, LipT 0.0189 0.1104 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.1104 0.1094
Echinococcus multilocularis BC026374 protein (S09 family) 0.0189 0.1104 0.1094
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0218 0.1376 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0189 0.1104 0.1094
Loa Loa (eye worm) hypothetical protein 0.0189 0.1104 0.1094
Echinococcus granulosus carboxylesterase 5A 0.1121 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0189 0.1104 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1121 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.1104 0.1094
Echinococcus granulosus acetylcholinesterase 0.1121 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0218 0.1376 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0075 0.0011 0.5
Onchocerca volvulus 0.0189 0.1104 1
Brugia malayi Carboxylesterase family protein 0.0189 0.1104 0.1094
Brugia malayi Pre-B cell enhancing factor precursor 0.0358 0.2709 0.2701
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.1104 0.1094
Schistosoma mansoni gliotactin 0.0189 0.1104 0.1094
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0075 0.0011 1
Brugia malayi hypothetical protein 0.0189 0.1104 0.1094
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0075 0.0011 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0075 0.0011 1
Echinococcus granulosus para nitrobenzyl esterase 0.0189 0.1104 0.1094
Echinococcus multilocularis nicotinamide phosphoribosyltransferase 0.0358 0.2709 0.2701
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0218 0.1376 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1104 0.1094
Toxoplasma gondii hypothetical protein 0.0143 0.0659 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0189 0.1104 0.1094
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0189 0.1104 0.8009
Onchocerca volvulus 0.0189 0.1104 1
Onchocerca volvulus 0.0189 0.1104 1
Giardia lamblia Rab geranylgeranyltransferase 0.0218 0.1376 1
Loa Loa (eye worm) hypothetical protein 0.1121 1 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.1376 0.1366
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0218 0.1376 0.1366
Loa Loa (eye worm) carboxylesterase 0.1121 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0189 0.1104 0.8009
Loa Loa (eye worm) carboxylesterase 0.0189 0.1104 0.1094
Loa Loa (eye worm) hypothetical protein 0.0189 0.1104 0.1094
Loa Loa (eye worm) acetylcholinesterase 1 0.1121 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0189 0.1104 1
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0358 0.2709 0.2701
Mycobacterium tuberculosis Carboxylesterase LipT 0.0189 0.1104 1
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0011 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1104 0.1094
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0218 0.1376 0.1366
Brugia malayi Carboxylesterase family protein 0.0189 0.1104 0.1094
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0218 0.1376 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1104 0.1094
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0218 0.1376 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0075 0.0011 1
Echinococcus granulosus neuroligin 0.0189 0.1104 0.1094
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0189 0.1104 0.1094
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.0659 0.475
Brugia malayi Carboxylesterase family protein 0.1121 1 1
Brugia malayi Carboxylesterase family protein 0.0189 0.1104 0.1094
Echinococcus granulosus nicotinamide phosphoribosyltransferase 0.0358 0.2709 0.2701

Activities

Activity type Activity value Assay description Source Reference
Cellular reversion (functional) = 90 % Percentage cellular reversion of H-ras transformed Rat-1 cells at 100 nM ChEMBL. 15780629
Cellular reversion (functional) = 90 % Percentage cellular reversion of H-ras transformed Rat-1 cells at 100 nM ChEMBL. 15780629
IC50 (functional) < 20 Inhibition of cellular reversion in H-ras transformed Rat-1 cells ChEMBL. 15780629
IC50 (binding) = 2.6 nM Inhibition of human farnesyltransferase ChEMBL. 15780629
IC50 (binding) = 2.6 nM Inhibition of human farnesyltransferase ChEMBL. 15780629
IC50 (functional) < 20 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.

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