Detailed information for compound 1169936

Basic information

Technical information
  • TDR Targets ID: 1169936
  • Name: 2-[1-butyl-2,5-dioxo-9-[[4-(phenoxy)phenyl]me thyl]-1,4,9-triazaspiro[5.5]undecan-3-yl]acet ic acid
  • MW: 479.568 | Formula: C27H33N3O5
  • H donors: 2 H acceptors: 4 LogP: 0.78 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1C(=O)C(CC(=O)O)NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccccc1
  • InChi: 1S/C27H33N3O5/c1-2-3-15-30-25(33)23(18-24(31)32)28-26(34)27(30)13-16-29(17-14-27)19-20-9-11-22(12-10-20)35-21-7-5-4-6-8-21/h4-12,23H,2-3,13-19H2,1H3,(H,28,34)(H,31,32)
  • InChiKey: PQDGHEFJNAQBCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-butyl-2,5-diketo-9-[4-(phenoxy)benzyl]-1,4,9-triazaspiro[5.5]undecan-3-yl]acetic acid
  • 2-[1-butyl-2,5-dioxo-9-[[4-(phenoxy)phenyl]methyl]-1,4,9-triazaspiro[5.5]undecan-3-yl]ethanoic acid

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
Trypanosoma brucei oxidoreductase-like protein 0.0012 0.0237 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0181 1 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0012 0.0237 0.0254
Echinococcus granulosus geminin 0.017 0.9355 1
Trichomonas vaginalis hypothetical protein 0.0181 1 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0181 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.6452 1
Schistosoma mansoni hypothetical protein 0.017 0.9355 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0012 0.0237 0.0368
Loa Loa (eye worm) hypothetical protein 0.0012 0.0237 0.0368
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.0237 0.0368
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0181 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2491 0.2663
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.0237 0.0368
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0012 0.0237 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.2491 0.3862
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0012 0.0237 0.0254
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2491 0.2663
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.6452 1
Onchocerca volvulus 0.0012 0.0237 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0181 1 1
Schistosoma mansoni dihydropteridine reductase 0.0012 0.0237 0.0254
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0012 0.0237 0.5
Onchocerca volvulus 0.0012 0.0237 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2491 0.2663
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2491 0.2663
Loa Loa (eye worm) oxidoreductase 0.0012 0.0237 0.0368
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0012 0.0237 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0012 0.0237 0.0368
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0012 0.0237 0.0254
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0012 0.0237 0.5
Echinococcus multilocularis geminin 0.017 0.9355 1
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0012 0.0237 0.5
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0181 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2491 0.2663
Schistosoma mansoni hypothetical protein 0.017 0.9355 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0181 1 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0012 0.0237 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2491 0.2663
Plasmodium falciparum enoyl-acyl carrier reductase 0.0181 1 1
Leishmania major oxidoreductase-like protein 0.0012 0.0237 0.5
Leishmania major pteridine reductase 1 0.0012 0.0237 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2491 0.2663
Brugia malayi MH2 domain containing protein 0.0119 0.6452 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0012 0.0237 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.2491 0.3862
Trypanosoma brucei pteridine reductase 1 0.0012 0.0237 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0012 0.0237 0.5

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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