Detailed information for compound 1527065

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.343 | Formula: C16H21NO3
  • H donors: 2 H acceptors: 3 LogP: 3.43 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1CCCc2ccccc2CCCCNC1=O
  • InChi: 1S/C16H21NO3/c18-15-14(16(19)20)10-5-9-13-7-2-1-6-12(13)8-3-4-11-17-15/h1-2,6-7,14H,3-5,8-11H2,(H,17,18)(H,19,20)
  • InChiKey: MQFAVUAJOMDLNE-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
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.3293 0.1393
Schistosoma mansoni high-affinity choline transporter 0.0347 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0209 0.5455 0.5406
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.3293 0.3871
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0117 0.2449 0.2879
Loa Loa (eye worm) hypothetical protein 0.0209 0.5455 0.5406
Trypanosoma cruzi Monooxygenase, putative 0.0117 0.2449 0.2879
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0242 0.0136
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.3293 0.3871
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.3287 0.6107
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0117 0.2449 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0209 0.5455 0.5406
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0117 0.2449 0.2367
Schistosoma mansoni monoxygenase 0.0117 0.2449 0.2367
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2521 0.244
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0579 0.0477
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2521 0.244
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0159 0.3822 1
Onchocerca volvulus 0.0226 0.6034 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Mycobacterium ulcerans hypothetical protein 0.0159 0.3822 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0242 0.0136
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0304 0.0358
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Toxoplasma gondii FAD binding domain-containing protein 0.0117 0.2449 1
Echinococcus multilocularis high affinity choline transporter 1 0.0347 1 1
Brugia malayi MH2 domain containing protein 0.0119 0.2521 0.244
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0117 0.2449 0.2367
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0117 0.2449 0.5
Plasmodium vivax hypothetical protein, conserved 0.0117 0.2449 0.5
Echinococcus granulosus high affinity choline transporter 1 0.0347 1 1
Toxoplasma gondii FAD binding domain-containing protein 0.0117 0.2449 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.3287 0.6107
Loa Loa (eye worm) hypothetical protein 0.0226 0.6034 0.5991
Chlamydia trachomatis monooxygenase 0.0117 0.2449 0.5
Brugia malayi SWIRM domain containing protein 0.0226 0.6034 0.5991
Loa Loa (eye worm) hypothetical protein 0.0347 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.2449 0.2367
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.8506 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0242 0.0136
Schistosoma mansoni hypothetical protein 0.0117 0.2449 0.2367
Echinococcus granulosus protein MICAL 3 0.0117 0.2449 0.2367
Trypanosoma brucei Monooxygenase, putative 0.0117 0.2449 0.2879
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0117 0.2449 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.8187 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0301 0.8506 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.8506 1
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.8187 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0242 0.0136
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0301 0.8506 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0209 0.5455 0.5406
Echinococcus multilocularis protein MICAL 3 0.0117 0.2449 0.2367
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.8187 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.006 0.0579 0.0477
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.2449 0.2879
Loa Loa (eye worm) hypothetical protein 0.0209 0.5455 0.5406

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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