Detailed information for compound 872280

Basic information

Technical information
  • TDR Targets ID: 872280
  • Name: N-[(2-bromophenyl)methyl]-3-methyl-2-oxo-1-ox aspiro[4.6]undec-3-ene-4-carboxamide
  • MW: 392.287 | Formula: C19H22BrNO3
  • H donors: 1 H acceptors: 2 LogP: 3.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=C(C)C(=O)OC21CCCCCC2)NCc1ccccc1Br
  • InChi: 1S/C19H22BrNO3/c1-13-16(17(22)21-12-14-8-4-5-9-15(14)20)19(24-18(13)23)10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,21,22)
  • InChiKey: ABEZTWCBBIHDTE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-bromobenzyl)-2-keto-3-methyl-1-oxaspiro[4.6]undec-3-ene-4-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
Schistosoma mansoni hypothetical protein 0.002 0.0198 0.0235
Echinococcus granulosus jun protein 0.0083 0.3075 0.305
Onchocerca volvulus 0.0065 0.2256 1
Echinococcus multilocularis muscleblind protein 0.0148 0.6045 0.6031
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0406 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0406 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.1972 0.1944
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0893 0.086
Echinococcus multilocularis jun protein 0.0083 0.3075 0.305
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0285 0.036
Brugia malayi PHD-finger family protein 0.0025 0.0392 0.0392
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0063 0.0028
Schistosoma mansoni hypothetical protein 0.0048 0.1451 0.2046
Echinococcus granulosus muscleblind protein 0.0148 0.6045 0.6031
Schistosoma mansoni survival motor neuron protein 0.0048 0.1451 0.2046
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0285 0.025
Brugia malayi MH2 domain containing protein 0.0118 0.4683 0.4683
Schistosoma mansoni hypothetical protein 0.0068 0.236 0.3359
Schistosoma mansoni jun-related protein 0.0068 0.236 0.3359
Schistosoma mansoni hypothetical protein 0.0168 0.6956 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0406 0.0372
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.3075 0.305
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1451 0.1451
Echinococcus multilocularis zinc finger protein 0.0019 0.015 0.0115
Schistosoma mansoni bromodomain containing protein 0.0063 0.2135 0.3033
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0406 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4683 0.4664
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0406 0.5
Echinococcus multilocularis muscleblind protein 1 0.0148 0.6045 0.6031
Loa Loa (eye worm) hypothetical protein 0.0148 0.6045 0.6031
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4683 0.4664
Schistosoma mansoni hypothetical protein 0.0168 0.6956 1
Echinococcus multilocularis geminin 0.0168 0.6956 0.6946
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0198 0.0163
Loa Loa (eye worm) hypothetical protein 0.0148 0.6045 0.6031
Loa Loa (eye worm) hypothetical protein 0.0234 1 1
Brugia malayi hypothetical protein 0.0065 0.2256 0.2256
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.297 0.2945
Brugia malayi bZIP transcription factor family protein 0.0083 0.3075 0.3075
Brugia malayi hypothetical protein 0.0025 0.0406 0.0406
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0893 0.086
Echinococcus multilocularis survival motor neuron protein 1 0.0234 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0285 0.025
Loa Loa (eye worm) hypothetical protein 0.007 0.2473 0.2446
Loa Loa (eye worm) hypothetical protein 0.0042 0.1198 0.1166
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.1972 0.1944
Echinococcus granulosus survival motor neuron protein 1 0.0234 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1004 0.0972
Echinococcus granulosus zinc finger protein 0.0019 0.015 0.0115
Schistosoma mansoni zinc finger protein 0.0019 0.015 0.0166
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0406 0.5
Brugia malayi Bromodomain containing protein 0.0038 0.1 0.1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.3075 0.305
Brugia malayi Bromodomain containing protein 0.0074 0.2667 0.2667
Brugia malayi Muscleblind-like protein 0.0148 0.6045 0.6045
Leishmania major hypothetical protein, conserved 0.0025 0.0406 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.1111 0.1079
Echinococcus granulosus geminin 0.0168 0.6956 0.6946

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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