Detailed information for compound 2071101

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.416 | Formula: C20H23N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1ccccc1)C)NCc1cccc(c1)N1CCCC1=O
  • InChi: 1S/C20H23N3O2/c1-15(17-8-3-2-4-9-17)22-20(25)21-14-16-7-5-10-18(13-16)23-12-6-11-19(23)24/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H2,21,22,25)
  • InChiKey: NTAOIXGTYKELGT-UHFFFAOYSA-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
Trypanosoma cruzi glutaminyl cyclase, putative 0.0021 0.0391 0.5
Brugia malayi Peptidase family M28 containing protein 0.0021 0.0391 1
Brugia malayi Intermediate filament tail domain containing protein 0.0016 0.024 0.6145
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0028 0.0636 1
Onchocerca volvulus 0.0021 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.024
Brugia malayi FXNA 0.0021 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.021 0.6542 0.6542
Loa Loa (eye worm) leucyl aminopeptidase 0.0021 0.0391 0.0391
Onchocerca volvulus Fxna peptidase homolog 0.0021 0.0391 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0391 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0231 0.0231
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0021 0.0391 0.0158
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0021 0.0391 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0391 0.5
Toxoplasma gondii peptidase, M28 family protein 0.0021 0.0391 0.5
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0021 0.0391 0.0249
Schistosoma mansoni nicalin (M28 family) 0.0021 0.0391 0.0249
Toxoplasma gondii hypothetical protein 0.0021 0.0391 0.5
Brugia malayi nicalin 0.0021 0.0391 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.0021 0.0391 1
Onchocerca volvulus Fxna peptidase homolog 0.0021 0.0391 1
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0021 0.0391 0.0158
Brugia malayi leucyl aminopeptidase 0.0021 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0391 0.0391
Brugia malayi intermediate filament protein 0.0016 0.024 0.6145
Onchocerca volvulus Fxna peptidase homolog 0.0021 0.0391 1
Trypanosoma brucei glutaminyl cyclase, putative 0.0021 0.0391 0.5
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0021 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0391 0.0391
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0021 0.0391 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0021 0.0391 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0391 0.5
Loa Loa (eye worm) intermediate filament protein 0.0016 0.024 0.024
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0203 0.6297 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0021 0.0391 0.5
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0021 0.0391 0.0249
Leishmania major hypothetical protein, conserved 0.0021 0.0391 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0028 0.0636 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0016 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0289 0.9087 0.9087
Loa Loa (eye worm) hypothetical protein 0.0021 0.0391 0.0391
Leishmania major glutaminyl cyclase, putative 0.0021 0.0391 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0021 0.0391 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0309 0.9755 1
Schistosoma mansoni Fxna peptidase (M28 family) 0.0021 0.0391 0.0249

Activities

No activities found for this compound.

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

No literature references available for this target.

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