Detailed information for compound 230249

Basic information

Technical information
  • TDR Targets ID: 230249
  • Name: 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan- 7-yl)-5-chloro-2-methoxypyridine-3-carboxamid e
  • MW: 414.928 | Formula: C22H27ClN4O2
  • H donors: 2 H acceptors: 2 LogP: 3.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc(N)c(cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1)Cl
  • InChi: 1S/C22H27ClN4O2/c1-29-22-18(12-19(23)20(24)26-22)21(28)25-15-10-16-8-5-9-17(11-15)27(16)13-14-6-3-2-4-7-14/h2-4,6-7,12,15-17H,5,8-11,13H2,1H3,(H2,24,26)(H,25,28)
  • InChiKey: FUOUCUSWOTUMGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-7-yl)-5-chloro-2-methoxy-pyridine-3-carboxamide
  • 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-7-yl)-5-chloro-2-methoxy-3-pyridinecarboxamide
  • 6-azanyl-5-chloro-2-methoxy-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-7-yl]pyridine-3-carboxamide
  • 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-7-yl)-5-chloro-2-methoxy-nicotinamide
  • 6-amino-5-chloro-2-methoxy-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-7-yl]pyridine-3-carboxamide
  • 6-amino-5-chloro-2-methoxy-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-7-yl]-3-pyridinecarboxamide
  • 6-amino-N-[9-(benzyl)-9-azabicyclo[3.3.1]nonan-7-yl]-5-chloro-2-methoxy-nicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D2 Starlite/ChEMBL No references

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
Schistosoma mansoni phosphoglucomutase 0.0263 0.2315 0.2315
Loa Loa (eye worm) hypothetical protein 0.0147 0.1087 1
Treponema pallidum ribonuclease H (rnhA) 0.0263 0.2315 0.5
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1087 0.4697
Echinococcus granulosus muscleblind protein 0.0147 0.1087 0.4697
Brugia malayi RNase H family protein 0.0263 0.2315 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0263 0.2315 0.5
Toxoplasma gondii ribonuclease HI protein 0.0263 0.2315 0.5
Trypanosoma brucei ingi protein (ORF1) 0.0285 0.2552 0.0309
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0263 0.2315 0.5
Giardia lamblia Ribonuclease H 0.0263 0.2315 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.1087 1
Trypanosoma brucei ingi protein (ORF1) 0.0285 0.2552 0.0309
Schistosoma mansoni phosphoglucomutase 0.0263 0.2315 0.2315
Schistosoma mansoni phosphoglucomutase 0.0263 0.2315 0.2315
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0285 0.2552 0.0309
Trypanosoma brucei RNA helicase, putative 0.0985 1 1
Brugia malayi Muscleblind-like protein 0.0147 0.1087 0.4697
Echinococcus multilocularis muscleblind protein 0.0147 0.1087 0.4697
Brugia malayi RNase H family protein 0.0263 0.2315 1
Echinococcus multilocularis ribonuclease H1 0.0263 0.2315 1
Trypanosoma brucei unspecified product 0.0285 0.2552 0.0309
Echinococcus granulosus ribonuclease H1 0.0263 0.2315 1
Trypanosoma brucei hypothetical protein, conserved 0.0285 0.2552 0.0309
Leishmania major ribonuclease H1, putative 0.0263 0.2315 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.0263 0.2315 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.0263 0.2315 0.5
Trichomonas vaginalis ribonuclease H1, putative 0.0263 0.2315 0.5
Brugia malayi RNase H family protein 0.0263 0.2315 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -8.9 Binding affinity of the compound towards dopamine D2 receptor ChEMBL. No reference
Log Ki (binding) = 8.9 Binding affinity of the compound towards dopamine D2 receptor ChEMBL. No reference

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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