Detailed information for compound 1541402

Basic information

Technical information
  • TDR Targets ID: 1541402
  • Name: N-(2-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspir o[4.7]dodecan-3-yl)acetamide
  • MW: 371.43 | Formula: C20H25N3O4
  • H donors: 2 H acceptors: 4 LogP: 2.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(=O)C)CN1C(=O)NC2(C1=O)CCCCCCC2
  • InChi: 1S/C20H25N3O4/c1-14(24)15-9-5-6-10-16(15)21-17(25)13-23-18(26)20(22-19(23)27)11-7-3-2-4-8-12-20/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,21,25)(H,22,27)
  • InChiKey: INOJENDZELJYQB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-acetylphenyl)-2-(2,4-diketo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
  • 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2-ethanoylphenyl)ethanamide
  • ZINC03268970
  • T5494528

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 isocitrate dehydrogenase, putative 0.0013 0 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0 0.5
Schistosoma mansoni transient receptor potential channel 4 0.0081 0.5289 0.5289
Schistosoma mansoni transcription factor LCR-F1 0.003 0.1313 0.1313
Echinococcus multilocularis short transient receptor potential channel 6 0.0053 0.315 0.315
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.003 0.1313 0.1313
Loa Loa (eye worm) hypothetical protein 0.0027 0.1111 0.21
Echinococcus granulosus transient receptor potential ion channel A 0.0078 0.5078 0.5078
Schistosoma mansoni hypothetical protein 0.003 0.1313 0.1313
Schistosoma mansoni transient receptor potential channel 0.0053 0.315 0.315
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0 0.5
Brugia malayi Transient-receptor-potential like protein 0.003 0.1321 1
Entamoeba histolytica hypothetical protein 0.003 0.1313 0.5
Schistosoma mansoni hypothetical protein 0.0141 1 1
Echinococcus granulosus transient receptor potential gamma protein 0.0081 0.5289 0.5289
Toxoplasma gondii isocitrate dehydrogenase 0.0013 0 0.5
Echinococcus multilocularis transient receptor potential gamma protein 0.0081 0.5289 0.5289
Echinococcus granulosus short transient receptor potential channel 6 0.0053 0.315 0.315
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0 0.5
Echinococcus granulosus TRP transient receptor potential channel 0.003 0.1321 0.1321
Loa Loa (eye worm) hypothetical protein 0.0081 0.5289 1
Entamoeba histolytica hypothetical protein 0.003 0.1313 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0013 0 0.5
Entamoeba histolytica hypothetical protein 0.003 0.1313 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.2939 0.5558
Loa Loa (eye worm) hypothetical protein 0.003 0.1321 0.2498
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0013 0 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0053 0.315 0.315
Toxoplasma gondii isocitrate dehydrogenase 0.0013 0 0.5
Echinococcus multilocularis transient receptor potential ion channel A 0.0078 0.5078 0.5078
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0013 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0081 0.5289 0.5289
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0013 0 0.5
Brugia malayi hypothetical protein 0.003 0.1313 0.994
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.003 0.1313 0.1313
Echinococcus multilocularis geminin 0.0141 1 1
Entamoeba histolytica hypothetical protein 0.003 0.1313 0.5
Schistosoma mansoni transient receptor potential channel 0.0053 0.315 0.315
Schistosoma mansoni hypothetical protein 0.0141 1 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0053 0.315 0.315
Echinococcus multilocularis TRP (transient receptor potential) channel 0.003 0.1321 0.1321

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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