Detailed information for compound 1824476

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.561 | Formula: C23H38N2O
  • H donors: 0 H acceptors: 1 LogP: 5.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC21CCC(CC2)C1CCCCC1)N1CCN(CC1)C1CCC1
  • InChi: 1S/C23H38N2O/c26-22(25-15-13-24(14-16-25)20-7-4-8-20)21-17-23(21)11-9-19(10-12-23)18-5-2-1-3-6-18/h18-21H,1-17H2
  • InChiKey: BGVWWNSHROUKKN-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
Plasmodium falciparum methionine aminopeptidase 2 0.0577 1 0.5
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0577 1 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0577 1 0.5
Giardia lamblia Methionine aminopeptidase 0.0577 1 0.5
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0577 1 0.5
Plasmodium vivax methionine aminopeptidase 2, putative 0.0577 1 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0577 1 0.5
Echinococcus granulosus methionyl aminopeptidase 2 0.0577 1 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0577 1 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0577 1 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0577 1 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0577 1 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0577 1 0.5
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0577 1 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0577 1 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0577 1 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0164 0 0.5
Leishmania major methionine aminopeptidase 2, putative 0.0577 1 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0577 1 0.5
Loa Loa (eye worm) initiation factor 2-associated protein 0.0577 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding after 3 hrs by scintillation proximity assay ChEMBL. 24410637
Ki (binding) > 10 mM Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay ChEMBL. 24410637

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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