Detailed information for compound 646797

Basic information

Technical information
  • TDR Targets ID: 646797
  • Name: N-(4-acetylphenyl)-9-oxobicyclo[3.3.1]nonane- 7-carboxamide
  • MW: 299.364 | Formula: C18H21NO3
  • H donors: 1 H acceptors: 3 LogP: 2.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC2CCCC(C1)C2=O)Nc1ccc(cc1)C(=O)C
  • InChi: 1S/C18H21NO3/c1-11(20)12-5-7-16(8-6-12)19-18(22)15-9-13-3-2-4-14(10-15)17(13)21/h5-8,13-15H,2-4,9-10H2,1H3,(H,19,22)
  • InChiKey: YDSRLNNPTBJLHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetylphenyl)-9-oxo-bicyclo[3.3.1]nonane-7-carboxamide
  • N-(4-acetylphenyl)-9-oxo-7-bicyclo[3.3.1]nonanecarboxamide
  • N-(4-acetylphenyl)-9-keto-bicyclo[3.3.1]nonane-7-carboxamide
  • N-(4-ethanoylphenyl)-9-oxo-bicyclo[3.3.1]nonane-7-carboxamide

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
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0699 0.1479 0.1473
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0037 0.0082
Brugia malayi Matrixin family protein 0.0112 0.0169 0.0442
Schistosoma mansoni survival motor neuron protein 0.0053 0.0037 0.0204
Echinococcus granulosus adam 0.0047 0.0023 0.0016
Schistosoma mansoni tar DNA-binding protein 0.007 0.0074 0.0456
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0074 0.0183
Echinococcus multilocularis adam 0.0047 0.0023 0.0016
Echinococcus granulosus adam 17 protease 0.0296 0.058 0.0573
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0009 0.5
Echinococcus multilocularis tar DNA binding protein 0.007 0.0074 0.0067
Schistosoma mansoni hypothetical protein 0.0159 0.0274 0.181
Onchocerca volvulus 0.0112 0.0169 0.0363
Schistosoma mansoni tar DNA-binding protein 0.007 0.0074 0.0456
Mycobacterium ulcerans hydrolase 0.0137 0.0224 0.1085
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0112 0.0169 0.11
Brugia malayi Matrixin family protein 0.0112 0.0169 0.0442
Loa Loa (eye worm) hypothetical protein 0.026 0.0499 0.1338
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0408 0.0829 0.0822
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0127 0.0203 0.0534
Echinococcus granulosus tar DNA binding protein 0.007 0.0074 0.0067
Trypanosoma brucei lipase domain protein, putative 0.168 0.3667 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0415 0.0845 0.0838
Brugia malayi Lipase family protein 0.168 0.3667 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0137 0.0224 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0699 0.1479 0.4018
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0699 0.1479 1
Loa Loa (eye worm) apoptosis regulator protein 0.0415 0.0845 0.2283
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.4518 1 1
Brugia malayi Matrixin family protein 0.0271 0.0524 0.1412
Loa Loa (eye worm) hypothetical protein 0.0112 0.0169 0.0436
Schistosoma mansoni hypothetical protein 0.0415 0.0845 0.569
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0009 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0699 0.1479 0.1473
Onchocerca volvulus 0.168 0.3667 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0009 0.0016
Loa Loa (eye worm) matrixin family protein 0.0271 0.0524 0.1406
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.091 0.1949 1
Brugia malayi Inositol-1 0.0041 0.0009 0.0006
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0269 0.052 0.3484
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0415 0.0845 0.2288
Loa Loa (eye worm) lipase 0.168 0.3667 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0009 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.006 0.0054 0.0316
Loa Loa (eye worm) hypothetical protein 0.0137 0.0224 0.0585
Brugia malayi Matrixin family protein 0.0112 0.0169 0.0442
Onchocerca volvulus 0.0159 0.0274 0.0651
Trypanosoma cruzi hypothetical protein, conserved 0.168 0.3667 1
Onchocerca volvulus Matrilysin homolog 0.0112 0.0169 0.0363
Loa Loa (eye worm) hypothetical protein 0.0112 0.0169 0.0436
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0137 0.0224 0.0591
Loa Loa (eye worm) matrixin family protein 0.0249 0.0474 0.1269
Brugia malayi Matrixin family protein 0.0112 0.0169 0.0442
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0137 0.0224 0.1147
Brugia malayi TAR-binding protein 0.007 0.0074 0.0183
Schistosoma mansoni apoptosis regulator bax 0.0415 0.0845 0.569
Schistosoma mansoni inositol monophosphatase 0.0041 0.0009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0112 0.0169 0.0436
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0009 0.0002
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0699 0.1479 0.4021
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0408 0.0829 0.0822
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.168 0.3667 0.3663
Echinococcus granulosus survival motor neuron protein 1 0.026 0.0499 0.0492
Schistosoma mansoni tar DNA-binding protein 0.007 0.0074 0.0456
Schistosoma mansoni hypothetical protein 0.0053 0.0037 0.0204
Loa Loa (eye worm) hypothetical protein 0.0415 0.0845 0.2283
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0415 0.0845 0.0838
Echinococcus multilocularis survival motor neuron protein 1 0.026 0.0499 0.0492
Trypanosoma cruzi hypothetical protein, conserved 0.168 0.3667 1
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0127 0.0203 0.0196
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0169 0.0296 0.0289
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0127 0.0203 0.0196
Schistosoma mansoni tar DNA-binding protein 0.007 0.0074 0.0456
Loa Loa (eye worm) hypothetical protein 0.0566 0.1182 0.3205
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0925 0.1982 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.0074 0.0177
Schistosoma mansoni hypothetical protein 0.0415 0.0845 0.569
Trichomonas vaginalis lipase containing protein, putative 0.168 0.3667 1
Brugia malayi hypothetical protein 0.026 0.0499 0.1344
Echinococcus multilocularis adam 17 protease 0.0269 0.052 0.0513
Trichomonas vaginalis lipase containing protein, putative 0.168 0.3667 1
Brugia malayi hypothetical protein 0.0047 0.0023 0.0044
Onchocerca volvulus Matrix metalloproteinase homolog 0.0249 0.0474 0.1203
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.168 0.3667 0.3663
Trypanosoma brucei lipase domain protein, putative 0.168 0.3667 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0415 0.0845 0.569
Leishmania major hypothetical protein, conserved 0.168 0.3667 1
Schistosoma mansoni hypothetical protein 0.0415 0.0845 0.569
Loa Loa (eye worm) matrix metalloproteinase 0.0112 0.0169 0.0436
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0074 0.0177
Schistosoma mansoni tar DNA-binding protein 0.007 0.0074 0.0456
Brugia malayi Hemopexin family protein 0.0159 0.0274 0.0728
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0047 0.0023 0.011
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0169 0.0296 0.0289
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0009 0.0002
Onchocerca volvulus Matrilysin homolog 0.0249 0.0474 0.1203
Brugia malayi RNA binding protein 0.007 0.0074 0.0183
Loa Loa (eye worm) RNA binding protein 0.007 0.0074 0.0177
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0127 0.0203 0.1329

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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