Detailed information for compound 447291

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.517 | Formula: C22H24N4O2S
  • H donors: 2 H acceptors: 4 LogP: 4.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnc2c(c1NC(C)(C)C)cc(cc2)NCc1cccc(c1)S(=O)(=O)C
  • InChi: 1S/C22H24N4O2S/c1-22(2,3)26-21-16(12-23)14-25-20-9-8-17(11-19(20)21)24-13-15-6-5-7-18(10-15)29(4,27)28/h5-11,14,24H,13H2,1-4H3,(H,25,26)
  • InChiKey: PDEILXYUWYPGTQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Giardia lamblia Prenyltransferase 0.0675 0.2958 0.2958
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0675 0.2958 0.2958
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0675 0.2958 0.2958
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1343 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0675 0.2958 0.2958
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0675 0.2958 0.2958
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0949 0.5845 0.5845
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0567 0.1824 0.1824
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0675 0.2958 0.2958
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0675 0.2958 0.2958
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0675 0.2958 0.2958
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1343 1 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0567 0.1824 0.1824
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1343 1 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0448 0.0561 0.0561
Toxoplasma gondii hypothetical protein 0.0949 0.5845 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0567 0.1824 0.1824
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0675 0.2958 0.2958
Leishmania major farnesyltransferase beta subunit 0.0675 0.2958 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0675 0.2958 0.2958
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0675 0.2958 0.2958
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0567 0.1824 0.1824
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0675 0.2958 0.2958
Onchocerca volvulus 0.0394 0 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1343 1 1
Loa Loa (eye worm) hypothetical protein 0.1343 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0675 0.2958 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0675 0.2958 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0675 0.2958 0.2958
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1343 1 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0675 0.2958 0.2958
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0675 0.2958 0.2958
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0675 0.2958 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1343 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1343 1 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0567 0.1824 0.1824
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0675 0.2958 0.5061
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1343 1 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0567 0.1824 0.1824
Giardia lamblia Rab geranylgeranyltransferase 0.1343 1 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0567 0.1824 0.1824
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0567 0.1824 0.1824
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1343 1 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1343 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.9 uM Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA ChEMBL. 17664070

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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