Detailed information for compound 153494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.445 | Formula: C21H27NO
  • H donors: 0 H acceptors: 0 LogP: 4.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC1(CCN(C)C)c2ccccc2CCc2c1cccc2
  • InChi: 1S/C21H27NO/c1-4-23-21(15-16-22(2)3)19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12H,4,13-16H2,1-3H3
  • InChiKey: BYNQUPPOVSPZSB-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
Mycobacterium ulcerans serine protease PepD 0.001 0.5 0.5
Toxoplasma gondii hypothetical protein 0.001 0.5 0.5
Mycobacterium leprae PROBABLE SERINE PROTEASE HTRA (DEGP PROTEIN) 0.001 0.5 0.5
Schistosoma mansoni subfamily S1B unassigned peptidase (S01 family) 0.001 0.5 0.5
Mycobacterium tuberculosis Probable serine protease HtrA (DEGP protein) 0.001 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.5 0.5
Mycobacterium leprae Probable serine protease (serine proteinase) 0.001 0.5 0.5
Plasmodium vivax trypsin-like serine protease, putative 0.001 0.5 0.5
Trypanosoma brucei hypothetical protein, conserved 0.001 0.5 0.5
Mycobacterium leprae POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE 0.001 0.5 0.5
Mycobacterium ulcerans serine protease PepA 0.001 0.5 0.5
Toxoplasma gondii trypsin domain-containing protein 0.001 0.5 0.5
Echinococcus granulosus serine protease HTRA2 mitochondrial 0.001 0.5 0.5
Echinococcus multilocularis serine protease HTRA2, mitochondrial 0.001 0.5 0.5
Treponema pallidum periplasmic serine protease 0.001 0.5 0.5
Mycobacterium ulcerans membrane-associated serine protease 0.001 0.5 0.5
Plasmodium falciparum trypsin-like serine protease, putative 0.001 0.5 0.5
Leishmania major hypothetical protein, conserved 0.001 0.5 0.5
Mycobacterium ulcerans serine protease HtrA (DegP protein) 0.001 0.5 0.5
Toxoplasma gondii hypothetical protein 0.001 0.5 0.5
Plasmodium falciparum serine protease DegP 0.001 0.5 0.5
Mycobacterium tuberculosis Probable serine protease PepD (serine proteinase) (MTB32B) 0.001 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.001 0.5 0.5
Treponema pallidum periplasmic serine protease DO (htrA-2) 0.001 0.5 0.5
Mycobacterium ulcerans serine protease 0.001 0.5 0.5
Mycobacterium tuberculosis Probable serine protease PepA (serine proteinase) (MTB32A) 0.001 0.5 0.5
Treponema pallidum periplasmic serine protease DO (htrA-1) 0.001 0.5 0.5
Plasmodium vivax serine protease DegP, putative 0.001 0.5 0.5
Mycobacterium leprae PROBABLE SERINE PROTEASE PEPA (SERINE PROTEINASE) (MTB32A) 0.001 0.5 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.001 0.5 0.5
Wolbachia endosymbiont of Brugia malayi serine protease 0.001 0.5 0.5
Toxoplasma gondii serine protease 0.001 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 1.3 mg kg-1 Ability to inhibit the accumulation of gamma-interferon (gamma-IFN) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
ED50 (functional) = 1.3 mg kg-1 Ability to inhibit the accumulation of gamma-interferon (gamma-IFN) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
ED50 (functional) = 2.4 mg kg-1 Ability to inhibit the accumulation of inflammatory cytokine interleukin-1 alpha (IL-1 alpha) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
ED50 (functional) = 2.4 mg kg-1 Ability to inhibit the accumulation of inflammatory cytokine interleukin-1 alpha (IL-1 alpha) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
ED50 (functional) = 8 mg kg-1 Ability to inhibit the accumulation of cytokine interleukin-6 (IL-6) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
ED50 (functional) = 8 mg kg-1 Ability to inhibit the accumulation of cytokine interleukin-6 (IL-6) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
ED50 (functional) = 17.6 mg kg-1 Ability to inhibit the accumulation of tumor necrosis factor-alpha (TNF-alpha) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
ED50 (functional) = 17.6 mg kg-1 Ability to inhibit the accumulation of tumor necrosis factor-alpha (TNF-alpha) in the serum of C. parvum-primed mice by po administration ChEMBL. No reference
IC50 (functional) = 1.7 uM In vitro inhibitory activity was measured for the release of tumor necrosis factor-alpha (TNF-alpha) from a murine monocytic cell line ChEMBL. No reference
IC50 (functional) = 1.7 uM In vitro inhibitory activity was measured for the release of tumor necrosis factor-alpha (TNF-alpha) from a murine monocytic cell line ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23

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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