Detailed information for compound 170083

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.302 | Formula: C16H23F2Na2O4P
  • H donors: 0 H acceptors: 4 LogP: 3.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\CC/C(=C/C(=O)C(P(=O)([O-])[O-])(F)F)/C)/CCC=C(C)C.[Na+].[Na+]
  • InChi: 1S/C16H25F2O4P.2Na/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(19)16(17,18)23(20,21)22;;/h7,9,11H,5-6,8,10H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b13-9+,14-11+;;
  • InChiKey: YQOOQDCWSZPFEA-WXDGBFIUSA-L  

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit 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
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
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
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative 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
Neospora caninum hypothetical 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, 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
Loa Loa (eye worm) 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
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax prenyltransferase alpha subunit, 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 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
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
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing 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
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.0833 0.8048
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.0179 0.0757 1
Onchocerca volvulus Folate transporter 1 homolog 0.0227 0.1022 1
Onchocerca volvulus 0.005 0.0057 0.056
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.0833 0.0781
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.0833 0.8048
Trypanosoma brucei hypothetical protein, conserved 0.005 0.0057 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0833 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0057 0.5
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0.0057 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0833 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.0833 0.0781
Onchocerca volvulus 0.0227 0.1022 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0057 0.5
Onchocerca volvulus Folate transporter 1 homolog 0.0227 0.1022 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Brugia malayi folate-like transporter 3 0.0227 0.1022 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0057 0.5
Loa Loa (eye worm) reduced folate carrier family protein 0.0227 0.1022 1
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0057 0.5
Onchocerca volvulus 0.0227 0.1022 1
Onchocerca volvulus Folate transporter 1 homolog 0.0227 0.1022 1
Onchocerca volvulus 0.0227 0.1022 1
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0039 0 0.5
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.0833 0.8048
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0179 0.0757 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Echinococcus multilocularis Major facilitator superfamily, general substrate transporter 0.0675 0.3455 0.3417
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Schistosoma mansoni hypothetical protein 0.0675 0.345 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.0833 0.8048
Echinococcus multilocularis folate receptor beta 0.188 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.0833 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.0833 0.8048
Echinococcus granulosus Major facilitator superfamily general substrate transporter 0.0675 0.3455 0.3417
Entamoeba histolytica hypothetical protein 0.0227 0.1022 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.0833 0.2287
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0057 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.0562 0.65
Brugia malayi Reduced folate carrier family protein 0.0227 0.1022 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0179 0.0757 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Toxoplasma gondii hypothetical protein 0.0143 0.0562 0.2252
Toxoplasma gondii hypothetical protein 0.0462 0.2297 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.0833 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1022 1
Giardia lamblia Hypothetical protein 0.0227 0.1022 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0057 0.5
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0.0057 0.5
Onchocerca volvulus 0.0227 0.1022 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.0833 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.35 uM Activity against pig Farnesyltransferase ChEMBL. 9301658
IC50 (binding) = 0.35 uM Activity against pig Farnesyltransferase ChEMBL. 9301658

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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