Detailed information for compound 308553

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.557 | Formula: C20H31N5O3S
  • H donors: 2 H acceptors: 3 LogP: 1.6 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)NCCc1ccc(cc1)S(=O)(=O)N1CCN(C1=N)C1CCCCC1)N
  • InChi: 1S/C20H31N5O3S/c1-15(21)19(26)23-12-11-16-7-9-18(10-8-16)29(27,28)25-14-13-24(20(25)22)17-5-3-2-4-6-17/h7-10,15,17,22H,2-6,11-14,21H2,1H3,(H,23,26)
  • InChiKey: XFEFHDGWSJFDBQ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0579 0.5264 0.4678
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.087 1 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0755 0.8138 0.5
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0579 0.5264 0.4678
Entamoeba histolytica Ras family GTPase 0.0588 0.5409 0.4841
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.087 1 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0579 0.5264 0.4678
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.087 1 1
Entamoeba histolytica Ras family GTPase 0.0588 0.5409 0.4841
Brugia malayi Ras-related protein R-Ras2 0.0588 0.5409 0.4841
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.087 1 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0634 0.6158 0.5683
Brugia malayi Ras protein let-60 0.0588 0.5409 0.4841
Leishmania major lanosterol synthase, putative 0.0519 0.4296 0.3591
Trypanosoma brucei lanosterol synthase 0.0755 0.8138 0.7908
Trichomonas vaginalis rheb, putative 0.0588 0.5409 0.5409
Loa Loa (eye worm) hypothetical protein 0.0579 0.5264 0.4678
Giardia lamblia Rab geranylgeranyltransferase 0.0579 0.5264 0.4678
Trypanosoma cruzi lanosterol synthase, putative 0.0755 0.8138 0.7908
Echinococcus multilocularis ras gtpase 0.0588 0.5409 0.4841
Plasmodium falciparum protein farnesyltransferase subunit beta 0.087 1 1
Entamoeba histolytica ras-1, putative 0.0588 0.5409 0.4841
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0323 0.1101 0.1101
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.087 1 1
Giardia lamblia Prenyltransferase 0.087 1 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.087 1 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.087 1 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.087 1 1
Onchocerca volvulus 0.0323 0.1101 0.5
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0579 0.5264 0.4678
Trichomonas vaginalis ras-dva small GTPase, putative 0.0588 0.5409 0.5409
Plasmodium vivax farnesyltransferase beta subunit, putative 0.087 1 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0579 0.5264 0.5074
Echinococcus granulosus protein farnesyltransferase subunit beta 0.087 1 1
Leishmania major farnesyltransferase beta subunit 0.087 1 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.087 1 1
Trichomonas vaginalis dexras1, putative 0.0588 0.5409 0.5409
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0579 0.5264 0.4678
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0579 0.5264 0.5264
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.087 1 1
Trichomonas vaginalis ral, putative 0.0588 0.5409 0.5409
Trichomonas vaginalis rap1 and, putative 0.0588 0.5409 0.5409
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.087 1 1
Toxoplasma gondii hypothetical protein 0.0323 0.1101 0.1101
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0579 0.5264 0.5264
Echinococcus granulosus ras gtpase 0.0588 0.5409 0.4841
Loa Loa (eye worm) hypothetical protein 0.0588 0.5409 0.4841
Trypanosoma cruzi protein farnesyltransferase, putative 0.087 1 1
Loa Loa (eye worm) Ras protein let-60 0.0588 0.5409 0.4841
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0579 0.5264 0.5264
Trypanosoma cruzi lanosterol synthase, putative 0.0755 0.8138 0.7908
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0579 0.5264 0.4678
Trypanosoma cruzi protein farnesyltransferase, putative 0.087 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0323 0.1101 0.0744
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.087 1 1
Trichomonas vaginalis GTP-binding protein rit, putative 0.0588 0.5409 0.5409
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0579 0.5264 0.4678

Activities

Activity type Activity value Assay description Source Reference
ED20 (functional) = 0.059 mM kg-1 Hypoglycemic activity by lowering blood glucose in normal rats by 20% after oral administration. ChEMBL. 6864736
ED20 (functional) = 0.46 mM kg-1 Hypoglycemic activity by lowering blood glucose in streptozotocin-diabetic rats by 20% after oral administration. ChEMBL. 6864736
ED50 (functional) = 0.16 mM kg-1 Hypoglycemic activity by lowering blood glucose in normal rats by 50% after oral administration. ChEMBL. 6864736

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

1 literature reference was collected for this gene.

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