Detailed information for compound 300581

Basic information

Technical information
  • TDR Targets ID: 300581
  • Name: 5-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9- diazaspiro[5.5]undecan-3-one
  • MW: 341.447 | Formula: C20H27N3O2
  • H donors: 2 H acceptors: 1 LogP: 2.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1NC(=O)COC21CCN(CC2)CCc1c[nH]c2c1cccc2
  • InChi: 1S/C20H27N3O2/c1-2-18-20(25-14-19(24)22-18)8-11-23(12-9-20)10-7-15-13-21-17-6-4-3-5-16(15)17/h3-6,13,18,21H,2,7-12,14H2,1H3,(H,22,24)
  • InChiKey: SFGVJXHPRDRVKE-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
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Echinococcus granulosus dna polymerase eta 0.002 0.0001 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 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
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0009 0.0188
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0001 0.0014
Schistosoma mansoni DNA polymerase eta 0.002 0.0001 0.0014
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
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
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0101
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
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0009 0.0188
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0001 0.0031
Onchocerca volvulus 0.1973 0.0417 0.5
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
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
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0001 0.0014
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0007 0.0151
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0001 0.0014
Loa Loa (eye worm) hypothetical protein 0.002 0.0001 0.0014
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.1973 0.0417 0.0416
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0001 0.0031
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0009 0.0188
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.1973 0.0417 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0001 0.0014
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1973 0.0417 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0007 0.0151
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.1973 0.0417 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1973 0.0417 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0001 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Echinococcus granulosus dna polymerase kappa 0.002 0.0001 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0007 0.0151
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 4.6991 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0007 0.0151
Loa Loa (eye worm) hypothetical protein 0.0054 0.0009 0.0188
Echinococcus multilocularis dna polymerase eta 0.002 0.0001 0.0014
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 1.7861 0.3799 0.5
Echinococcus multilocularis dna polymerase kappa 0.002 0.0001 0.0014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0007 0.0151
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0005 0.0101
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0001 0.0031
Trypanosoma brucei unspecified product 0.002 0.0001 0.0031
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.1973 0.0417 0.5
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.1973 0.0417 1
Loa Loa (eye worm) hypothetical protein 0.1973 0.0417 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0007 0.0151
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.1973 0.0417 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0001 0.0031
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 4.6991 1 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 1.7861 0.3799 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0001 0.0014

Activities

Activity type Activity value Assay description Source Reference
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 3 hours at 12.5 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 4 hours at 12.5 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 21 % Percentage fall in systolic blood pressure after 1 hr at 12.5 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 25 % Percentage fall in systolic blood pressure after 2 hours at 12.5 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 40 % Percentage fall in systolic blood pressure after 1 hr at 50 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 41 % Percentage fall in systolic blood pressure after 3 hours at 50 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 43 % Percentage fall in systolic blood pressure after 4 hours at 50 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 54 % Percentage fall in systolic blood pressure after 2 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.
 
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

1 literature reference was collected for this gene.

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