Detailed information for compound 56125

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.502 | Formula: C24H25N7O
  • H donors: 0 H acceptors: 4 LogP: 1.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(nc1N1CCN(CC1)C)COC(c1cncn1C)c1ccc(cc1)C#N
  • InChi: 1S/C24H25N7O/c1-29-9-11-31(12-10-29)24-20(14-26)7-8-21(28-24)16-32-23(22-15-27-17-30(22)2)19-5-3-18(13-25)4-6-19/h3-8,15,17,23H,9-12,16H2,1-2H3
  • InChiKey: BZPUIQDRTMTNME-UHFFFAOYSA-N  


Substructure search Similarity search

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit 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
Leishmania mexicana farnesyltransferase beta subunit 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
Leishmania infantum 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
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
Trypanosoma brucei gambiense protein farnesyltransferase 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
Plasmodium vivax conserved Plasmodium protein, unknown function 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 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
Babesia bovis prenyltransferase and squalene oxidase repeat family protein 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
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, 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
Theileria parva farnesyltransferase beta subunit, 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
Plasmodium knowlesi protein farnesyltransferase subunit beta, 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
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 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
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit beta, 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 geranylgeranyl transferase type 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
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], 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
Leishmania major farnesyltransferase beta subunit 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
Leishmania donovani 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
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 lanosterol synthase, putative 0.0074 0.0158 0.0057
Mycobacterium leprae probable uridine phosphorylase 0.0224 0.146 0.5
Chlamydia trachomatis AMP nucleosidase 0.0224 0.146 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0224 0.146 1
Echinococcus granulosus uridine phosphorylase 1 0.0224 0.146 0.1372
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.0158 0.0057
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0224 0.146 1
Trichomonas vaginalis conserved hypothetical protein 0.0224 0.146 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.1211 1 1
Brugia malayi uridine phosphorylase family protein 0.0224 0.146 0.1372
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1211 1 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0224 0.146 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0224 0.146 0.1372
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0224 0.146 1
Toxoplasma gondii phosphorylase family protein 0.0224 0.146 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0224 0.146 0.1372
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Echinococcus multilocularis purine nucleoside phosphorylase 0.0224 0.146 0.1372
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.1211 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0224 0.146 0.1372
Schistosoma mansoni methylthioadenosine phosphorylase 0.1211 1 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.1211 1 1
Toxoplasma gondii phosphorylase family protein 0.0224 0.146 1
Mycobacterium tuberculosis Hypothetical protein 0.0224 0.146 0.1648
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0224 0.146 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.1211 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0224 0.146 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0224 0.146 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0224 0.146 0.1372
Treponema pallidum pfs protein (pfs) 0.0224 0.146 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0224 0.146 0.1372
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0224 0.146 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.1211 1 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0224 0.146 0.1372
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0224 0.146 0.1648
Entamoeba histolytica hypothetical protein 0.0224 0.146 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0224 0.146 0.1372
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.1211 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0224 0.146 0.1648
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0224 0.146 0.1648
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0224 0.146 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0224 0.146 0.1372
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0224 0.146 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0224 0.146 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0224 0.146 1
Echinococcus multilocularis uridine phosphorylase 1 0.0224 0.146 0.1372
Schistosoma mansoni uridine phosphorylase 0.0224 0.146 0.1372
Plasmodium falciparum purine nucleoside phosphorylase 0.0224 0.146 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0224 0.146 0.1372
Schistosoma mansoni uridine phosphorylase 0.0224 0.146 0.1372
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0224 0.146 1
Leishmania major farnesyltransferase beta subunit 0.0067 0.0101 0.0101
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1211 1 1
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0224 0.146 1
Leishmania major nucleoside phosphorylase-like protein 0.0224 0.146 0.146
Treponema pallidum uridine phosphorylase (udp) 0.0224 0.146 0.5
Schistosoma mansoni purine nucleoside phosphorylase 0.0224 0.146 0.1372
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0224 0.146 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0224 0.146 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0224 0.146 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0224 0.146 1
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0987 0.8059 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Toxoplasma gondii Purine nucleoside phosphorylase 0.0224 0.146 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0224 0.146 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0224 0.146 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0224 0.146 1
Trypanosoma brucei lanosterol synthase 0.0074 0.0158 0.0057
Giardia lamblia UPL-1 0.0224 0.146 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0224 0.146 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0224 0.146 0.1372
Echinococcus granulosus purine nucleoside phosphorylase 0.0224 0.146 0.1372
Loa Loa (eye worm) uridine phosphorylase 0.0224 0.146 0.1372
Echinococcus multilocularis purine nucleoside phosphorylase 0.0224 0.146 0.1372
Leishmania major methylthioadenosine phosphorylase, putative 0.1211 1 1
Trypanosoma brucei uridine phosphorylase 0.0224 0.146 0.1372

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 58 nM Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine FTase ChEMBL. 12699757
IC50 (binding) = 58 nM Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine FTase ChEMBL. 12699757

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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