Detailed information for compound 822355

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 444.547 | Formula: C22H28N4O4S
  • H donors: 1 H acceptors: 3 LogP: 3.78 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN(C(=O)c1sc2c(c1C)c(NCCc1ccc(c(c1)OC)OC)ncn2)C
  • InChi: 1S/C22H28N4O4S/c1-14-18-20(23-9-8-15-6-7-16(29-4)17(12-15)30-5)24-13-25-21(18)31-19(14)22(27)26(2)10-11-28-3/h6-7,12-13H,8-11H2,1-5H3,(H,23,24,25)
  • InChiKey: KDNPRYZYWUIZMI-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
Leishmania major lanosterol synthase, putative 0.0947 0.3904 0.4011
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1595 1 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.1567 0.9734 0.9674
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0729 0.1853 0.1904
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0729 0.1853 0.1904
Schistosoma mansoni protein farnesyltransferase subunit beta 0.1567 0.9734 0.9734
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0729 0.1853 0.1904
Trypanosoma brucei hypothetical protein, conserved 0.0729 0.1853 0.1904
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1567 0.9734 0.9734
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0729 0.1853 0.1853
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1595 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1595 1 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.1567 0.9734 0.9734
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.1567 0.9734 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0729 0.1853 0.1904
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1567 0.9734 0.9734
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.1354 0.7733 0.7733
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0729 0.1853 0.1853
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1354 0.7733 0.7733
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.1567 0.9734 0.9734
Giardia lamblia Prenyltransferase 0.1567 0.9734 0.9734
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1567 0.9734 0.9734
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1567 0.9734 0.9734
Leishmania major farnesyltransferase beta subunit 0.1567 0.9734 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1595 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1595 1 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.1567 0.9734 0.9734
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1595 1 1
Trypanosoma cruzi lanosterol synthase, putative 0.148 0.8913 0.9156
Plasmodium vivax farnesyltransferase beta subunit, putative 0.1567 0.9734 0.9734
Trypanosoma cruzi hypothetical protein, conserved 0.0729 0.1853 0.1904
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1567 0.9734 0.9734
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0729 0.1853 0.1853
Plasmodium vivax conserved Plasmodium protein, unknown function 0.1035 0.4725 0.4725
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0729 0.1853 0.1904
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0729 0.1853 0.1904
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1354 0.7733 0.7733
Toxoplasma gondii hypothetical protein 0.0866 0.3138 0.3223
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.1567 0.9734 0.9734
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1354 0.7733 0.7733
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1595 1 1
Loa Loa (eye worm) hypothetical protein 0.1595 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0729 0.1853 0.1853
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0729 0.1853 0.1853
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0866 0.3138 0.3138
Trypanosoma brucei protein farnesyltransferase beta subunit 0.1567 0.9734 1
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.1567 0.9734 0.9734
Trypanosoma brucei lanosterol synthase 0.148 0.8913 0.9156
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0729 0.1853 0.1853
Trypanosoma cruzi protein farnesyltransferase, putative 0.1567 0.9734 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.1354 0.7733 0.7218
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1567 0.9734 0.9734
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0729 0.1853 0.1853
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1354 0.7733 0.7733
Giardia lamblia Rab geranylgeranyltransferase 0.0729 0.1853 0.1853
Trypanosoma cruzi hypothetical protein, conserved 0.0729 0.1853 0.1904
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1354 0.7733 0.7733
Onchocerca volvulus 0.0729 0.1853 0.5
Toxoplasma gondii hypothetical protein 0.0729 0.1853 0.1904
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1595 1 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.1354 0.7733 0.7733
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1595 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.1567 0.9734 1
Trypanosoma cruzi lanosterol synthase, putative 0.148 0.8913 0.9156
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1595 1 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.148 0.8913 0.5
Giardia lamblia Rab geranylgeranyltransferase 0.1595 1 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0729 0.1853 0.1853
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0729 0.1853 0.1904
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0729 0.1853 0.1853

Activities

No activities found for this compound.

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

Bibliographic References

No literature references available for this target.

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