Detailed information for compound 268171

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.335 | Formula: C17H19NO7
  • H donors: 2 H acceptors: 5 LogP: 0.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](O)CC(=O)[C@H]1OC(=O)C
  • InChi: 1S/C17H19NO7/c1-9(19)24-15-13(22)8-12(21)14(16(15)25-10(2)20)18-17(23)11-6-4-3-5-7-11/h3-7,12,14-16,21H,8H2,1-2H3,(H,18,23)/t12-,14-,15+,16+/m0/s1
  • InChiKey: QCJWGCFCQAADJN-ARLBYUKCSA-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 0.0291 0.1355 0.1082
Trypanosoma cruzi hypothetical protein, conserved 0.0353 0.1742 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0148 0.0194
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0168 0.0589 0.0386
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0353 0.1742 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0353 0.1742 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.1301 0.7664 1
Giardia lamblia Rab geranylgeranyltransferase 0.1301 0.7664 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0291 0.1355 0.1225
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0353 0.1742 0.1618
Giardia lamblia Rab geranylgeranyltransferase 0.0353 0.1742 0.163
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1301 0.7664 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0353 0.1742 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1301 0.7664 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0148 0.0194
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0291 0.1355 0.1605
Leishmania major farnesyltransferase beta subunit 0.0291 0.1355 0.664
Trypanosoma cruzi protein farnesyltransferase, putative 0.0291 0.1355 0.664
Loa Loa (eye worm) hypothetical protein 0.0168 0.0589 0.0769
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0168 0.0589 0.083
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0353 0.1742 0.2273
Brugia malayi Angiotensin-converting enzyme family protein 0.064 0.3537 0.451
Loa Loa (eye worm) hypothetical protein 0.0097 0.0148 0.0194
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0852 0.486 0.4782
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0291 0.1355 0.1082
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0353 0.1742 1
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0353 0.1742 0.1618
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0353 0.1742 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0852 0.486 0.6037
Trypanosoma cruzi lanosterol synthase, putative 0.0214 0.0878 0.2508
Mycobacterium leprae probable zinc metalloprotease 0.0097 0.0148 0.5
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0291 0.1355 0.1082
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0291 0.1355 0.1605
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0353 0.1742 0.1618
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0168 0.0589 0.0587
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1301 0.7664 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1301 0.7664 1
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0353 0.1742 0.163
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0291 0.1355 0.2271
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0852 0.486 0.6037
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0852 0.486 0.6269
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0353 0.1742 0.2121
Loa Loa (eye worm) hypothetical protein 0.1301 0.7664 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0291 0.1355 0.664
Onchocerca volvulus 0.0353 0.1742 0.5
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0353 0.1742 0.1618
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0291 0.1355 0.1082
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0353 0.1742 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0291 0.1355 0.1427
Trypanosoma brucei hypothetical protein, conserved 0.0353 0.1742 1
Toxoplasma gondii hypothetical protein 0.0948 0.5461 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0353 0.1742 1
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0168 0.0589 0.083
Loa Loa (eye worm) hypothetical protein 0.0168 0.0589 0.0769
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1301 0.7664 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1301 0.7664 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0353 0.1742 0.2121
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0291 0.1355 0.1082
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1301 0.7664 0.7629
Toxoplasma gondii hypothetical protein 0.0353 0.1742 0.3
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0214 0.0878 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0291 0.1355 0.1082
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0291 0.1355 0.664
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0948 0.5461 0.6886
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0291 0.1355 0.1768
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1301 0.7664 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0291 0.1355 0.1225
Plasmodium vivax geranylgeranyltransferase, putative 0.0168 0.0589 0.0386
Mycobacterium ulcerans zinc metalloprotease 0.0097 0.0148 0.5
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0852 0.486 0.6341
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0291 0.1355 0.1082
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1301 0.7664 0.7629
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1675 1 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.064 0.3537 0.4616
Trypanosoma cruzi lanosterol synthase, putative 0.0214 0.0878 0.2508
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0353 0.1742 0.163
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0353 0.1742 0.1953
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0353 0.1742 0.163
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0291 0.1355 0.1082
Trypanosoma brucei lanosterol synthase 0.0214 0.0878 0.2508
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0852 0.486 0.6269
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0852 0.486 0.6269
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0852 0.486 0.4782
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0168 0.0589 0.0587
Trypanosoma cruzi hypothetical protein, conserved 0.0353 0.1742 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1301 0.7664 1
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0168 0.0589 0.0448
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0291 0.1355 0.1082

Activities

Activity type Activity value Assay description Source Reference
Remaining activity (binding) = 56 % Inactivation of the enzyme PI4K230 from bovine brain membranes ChEMBL. 11170653
Remaining activity (binding) = 56 % Inactivation of the enzyme PI4K230 from bovine brain membranes ChEMBL. 11170653

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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