Detailed information for compound 253588

Basic information

Technical information
  • TDR Targets ID: 253588
  • Name: N-ethyl-N-[(2-phenylphenyl)methyl]-[1,2,4]thi adiazolo[2,3-a]benzimidazol-2-amine
  • MW: 384.497 | Formula: C23H20N4S
  • H donors: 0 H acceptors: 2 LogP: 6.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1nc2n(s1)c1c(n2)cccc1)Cc1ccccc1c1ccccc1
  • InChi: 1S/C23H20N4S/c1-2-26(16-18-12-6-7-13-19(18)17-10-4-3-5-11-17)23-25-22-24-20-14-8-9-15-21(20)27(22)28-23/h3-15H,2,16H2,1H3
  • InChiKey: ORLIZBXBAARYEU-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl-(2-phenylbenzyl)-([1,2,4]thiadiazolo[2,3-a]benzimidazol-2-yl)amine

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 multilocularis protein farnesyltransferase alpha subunit 0.0157 1 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.011 0.3849 0.3849
Leishmania major farnesyltransferase beta subunit 0.011 0.3849 0.5
Trypanosoma brucei protein farnesyltransferase beta subunit 0.011 0.3849 0.5
Trypanosoma cruzi protein farnesyltransferase, putative 0.011 0.3849 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0157 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0157 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.011 0.3849 0.5
Giardia lamblia Rab geranylgeranyltransferase 0.0157 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0157 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0157 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0157 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0116 0.4727 0.1427
Loa Loa (eye worm) hypothetical protein 0.0157 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0157 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0157 1 1
Toxoplasma gondii hypothetical protein 0.0116 0.4727 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0157 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0157 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 48 uM Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from guinea pig ventricular tissue. ChEMBL. 9871607
IC50 (binding) = 48 uM Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from guinea pig ventricular tissue. ChEMBL. 9871607
Inhibition (binding) = 41 % Inhibition of guinea pig ventricular Phosphodiesterase 3 (PDE 3) at 200 uM ChEMBL. 9871607
Inhibition (binding) = 41 % Inhibition of guinea pig ventricular Phosphodiesterase 3 (PDE 3) at 200 uM ChEMBL. 9871607

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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