Detailed information for compound 812771

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.523 | Formula: C24H32N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)C)NCC1CCC2(O1)CCN(CC2)Cc1ccc2c(c1)cccc2
  • InChi: 1S/C24H32N2O2/c1-18(2)23(27)25-16-22-9-10-24(28-22)11-13-26(14-12-24)17-19-7-8-20-5-3-4-6-21(20)15-19/h3-8,15,18,22H,9-14,16-17H2,1-2H3,(H,25,27)
  • InChiKey: XPEREOVGROVNOT-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
Loa Loa (eye worm) animal heme peroxidase 0.0242 0.0429 0.0429
Brugia malayi hypothetical protein 0.0242 0.0429 0.0007
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Loa Loa (eye worm) animal heme peroxidase 0.0242 0.0429 0.0429
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.3824 1 0.5
Onchocerca volvulus Peroxidase homolog 0.0242 0.0429 0.5
Onchocerca volvulus Dual oxidase homolog 0.0242 0.0429 0.5
Schistosoma mansoni peroxidasin 0.0242 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Toxoplasma gondii hypothetical protein 0.0082 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Onchocerca volvulus 0.0242 0.0429 0.5
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1503 0.3797 0.5
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1503 0.3797 0.5
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Brugia malayi Animal haem peroxidase family protein 0.0242 0.0429 0.0007
Onchocerca volvulus 0.0242 0.0429 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.0421 0.9621
Loa Loa (eye worm) hypothetical protein 0.0239 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Brugia malayi Blistered cuticle protein 3 0.0242 0.0429 0.0007
Onchocerca volvulus 0.0242 0.0429 0.5
Onchocerca volvulus Peroxidasin homolog 0.0242 0.0429 0.5
Loa Loa (eye worm) hypothetical protein 0.3824 1 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Brugia malayi Animal haem peroxidase family protein 0.0242 0.0429 0.0007
Brugia malayi Animal haem peroxidase family protein 0.0242 0.0429 0.0007
Echinococcus multilocularis peroxidasin 0.0242 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.0421 0.9621
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Loa Loa (eye worm) animal heme peroxidase 0.0242 0.0429 0.0429
Brugia malayi Animal haem peroxidase family protein 0.0242 0.0429 0.0007
Onchocerca volvulus Peroxidasin homolog 0.0242 0.0429 0.5
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1503 0.3797 0.5
Brugia malayi Peroxidasin 0.0242 0.0429 0.0007
Leishmania major malonyl-coa decarboxylase-like protein 0.1503 0.3797 0.5
Echinococcus granulosus peroxidasin 0.0242 0.0429 1
Onchocerca volvulus Peroxidase homolog 0.0242 0.0429 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0242 0.0429 0.0429
Brugia malayi Animal haem peroxidase family protein 0.0242 0.0429 0.0007
Onchocerca volvulus Chorion peroxidase homolog 0.0242 0.0429 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0242 0.0429 0.0429
Schistosoma mansoni peroxidasin 0.0242 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.0429 0.0429

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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