Detailed information for compound 183543

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.533 | Formula: C25H22N4O2S
  • H donors: 1 H acceptors: 4 LogP: 4.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)Cn1c(CNc2ccc(cc2)S(=O)(=O)c2ccccc2)cnc1C
  • InChi: 1S/C25H22N4O2S/c1-19-27-16-23(29(19)18-21-9-7-20(15-26)8-10-21)17-28-22-11-13-25(14-12-22)32(30,31)24-5-3-2-4-6-24/h2-14,16,28H,17-18H2,1H3
  • InChiKey: XIXPVBGKEUCLCX-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
Bos taurus Protein farnesyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis geranylgeranyl transferase type 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 mexicana farnesyltransferase beta subunit 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 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
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Prenyltransferase 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 major 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
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 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
Theileria parva 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
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
Plasmodium vivax conserved Plasmodium protein, unknown function 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
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 beta subunit, 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 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
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 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
Leishmania infantum 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
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
Plasmodium knowlesi conserved Plasmodium protein, unknown function 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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 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
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
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

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
Chlamydia trachomatis dihydrofolate reductase 0.089 1 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.034 0.3412 1
Schistosoma mansoni dihydrofolate reductase 0.089 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.089 1 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.034 0.3412 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.089 1 0.5
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0067 0.014 0.5
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0067 0.014 0.5
Leishmania major farnesyltransferase beta subunit 0.0067 0.014 0.0412
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.034 0.3412 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0067 0.014 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0067 0.014 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.034 0.3412 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0067 0.014 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.0219 0.024
Echinococcus granulosus dihydrofolate reductase 0.089 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0067 0.014 0.5
Giardia lamblia Prenyltransferase 0.0067 0.014 0.5
Loa Loa (eye worm) dihydrofolate reductase 0.089 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.089 1 1
Echinococcus multilocularis dihydrofolate reductase 0.089 1 1
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.0219 0.024
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.034 0.3412 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.034 0.3412 1
Trypanosoma brucei lanosterol synthase 0.0074 0.0219 0.024
Brugia malayi Dihydrofolate reductase 0.089 1 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0067 0.014 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 93 nM Inhibition of bovine Farnesyltransferase in vitro. ChEMBL. 10612589
IC50 (binding) = 93 nM Inhibition of bovine Farnesyltransferase in vitro. ChEMBL. 10612589
IC50 (functional) = 177 nM Inhibition of proliferation of v-Ha-ras-transformed RAT1 cells on poly-(HEMA)-coated plates ChEMBL. 10612589

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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