Detailed information for compound 1167549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.411 | Formula: C18H26N2O2
  • H donors: 0 H acceptors: 1 LogP: 1.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1CCC2(CC1)CN(c1c2cc(C)cc1)C(=O)C
  • InChi: 1S/C18H26N2O2/c1-14-4-5-17-16(12-14)18(13-20(17)15(2)21)6-8-19(9-7-18)10-11-22-3/h4-5,12H,6-11,13H2,1-3H3
  • InChiKey: TVDJSMNDEYIYOE-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
Treponema pallidum penicillin-binding protein (pbp-2) 0.0171 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.7079 1
Brugia malayi hypothetical protein 0.0027 0.0643 0.0908
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0643 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.307 0.2802
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.307 0.6081
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0022 0.0372 0.0736
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0076 0.3872 0.767
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.307 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0643 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0643 1
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0094 0.5048 0.4857
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0022 0.0372 0.5
Brugia malayi hypothetical protein 0.0017 0.0032 0.0046
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0643 0.2094
Loa Loa (eye worm) hypothetical protein 0.0027 0.0643 0.0908
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0171 1 1
Leishmania major hypothetical protein, conserved 0.0027 0.0643 0.2094
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.307 0.2802
Trichomonas vaginalis conserved hypothetical protein 0.0171 1 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.307 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.307 0.2802
Brugia malayi MH2 domain containing protein 0.0126 0.7079 1
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0022 0.0372 0.0736
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.307 1
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0094 0.5048 0.4857
Chlamydia trachomatis transglycolase/transpeptidase 0.0022 0.0372 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0643 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.307 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.307 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0643 1
Chlamydia trachomatis transglycolase/transpeptidase 0.0022 0.0372 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0643 1
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0094 0.5048 1
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.7079 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.307 1

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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