Detailed information for compound 290534

Basic information

Technical information
  • TDR Targets ID: 290534
  • Name: 5-ethyl-9-[2-(1H-indol-3-yl)ethyl]-4-methyl-1 -oxa-4,9-diazaspiro[5.5]undecan-3-one
  • MW: 355.474 | Formula: C21H29N3O2
  • H donors: 1 H acceptors: 1 LogP: 2.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1N(C)C(=O)COC21CCN(CC2)CCc1c[nH]c2c1cccc2
  • InChi: 1S/C21H29N3O2/c1-3-19-21(26-15-20(25)23(19)2)9-12-24(13-10-21)11-8-16-14-22-18-7-5-4-6-17(16)18/h4-7,14,19,22H,3,8-13,15H2,1-2H3
  • InChiKey: XPOYPEGICVZFLM-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
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0001 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 1.7861 0.3799 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0009 0.0188
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0001 0.0014
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0001 0.0031
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0001 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0001 0.0014
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0005 0.0101
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 4.6991 1 1
Loa Loa (eye worm) hypothetical protein 0.1973 0.0417 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0001 0.0014
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 4.6991 1 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0005 0.0101
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0001 0.0031
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.1973 0.0417 0.5
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0009 0.0188
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0001 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0001 0.0031
Echinococcus multilocularis dna polymerase kappa 0.002 0.0001 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0007 0.0151
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.1973 0.0417 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0007 0.0151
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.1973 0.0417 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0001 0.0014
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0007 0.0151
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0007 0.0151
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0001 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0007 0.0151
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0009 0.0188
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0001 0.0014
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 1.7861 0.3799 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0001 0.0014
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.1973 0.0417 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.1973 0.0417 0.0416
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 4.6991 1 1
Onchocerca volvulus 0.1973 0.0417 0.5
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0001 0.0014
Schistosoma mansoni DNA polymerase eta 0.002 0.0001 0.0014
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.1973 0.0417 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0007 0.0151
Echinococcus granulosus dna polymerase eta 0.002 0.0001 0.0014
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Trypanosoma brucei unspecified product 0.002 0.0001 0.0031
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0009 0.0188
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0007 0.0151
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0007 0.0151
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0101
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0007 0.0151

Activities

Activity type Activity value Assay description Source Reference
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 1 hr at 50 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 2 hours at 50 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 3 hours at 50 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 4 hours at 50 mg/kg given perorally ChEMBL. 6133954

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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