Detailed information for compound 1536861

Basic information

Technical information
  • TDR Targets ID: 1536861
  • Name: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N -(furan-2-ylmethyl)acetamide
  • MW: 291.302 | Formula: C14H17N3O4
  • H donors: 2 H acceptors: 3 LogP: 0.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC2(C1=O)CCCC2)NCc1ccco1
  • InChi: 1S/C14H17N3O4/c18-11(15-8-10-4-3-7-21-10)9-17-12(19)14(16-13(17)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,15,18)(H,16,20)
  • InChiKey: YYRMQGODFOLIOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-furylmethyl)acetamide
  • 2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-furylmethyl)acetamide
  • 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)ethanamide
  • T5545106
  • ZINC04548202

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0239 0.1747 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0283 0.0282
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0239 0.1747 1
Giardia lamblia hypothetical protein 0.01 0.0636 1
Mycobacterium ulcerans oxidoreductase 0.0239 0.1747 1
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.01 0.0636 0.0666
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0283 0.0283
Brugia malayi amine oxidase, flavin-containing family protein 0.0339 0.2539 0.2539
Toxoplasma gondii histone lysine-specific demethylase 0.0239 0.1747 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.1177 0.9208 1
Leishmania major hypothetical protein, conserved 0.003 0.0086 0.0357
Echinococcus multilocularis protoporphyrinogen oxidase 0.0239 0.1747 0.1875
Loa Loa (eye worm) hypothetical protein 0.1177 0.9208 0.9206
Mycobacterium tuberculosis Conserved hypothetical protein 0.0239 0.1747 1
Loa Loa (eye worm) hypothetical protein 0.0239 0.1747 0.1726
Toxoplasma gondii SWIRM domain-containing protein 0.01 0.0636 0.3551
Entamoeba histolytica hypothetical protein 0.01 0.0636 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0283 0.0282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0283 0.0282
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0086 0.0357
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0086 0.0357
Loa Loa (eye worm) hypothetical protein 0.1177 0.9208 0.9206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0283 0.0282
Mycobacterium ulcerans dehydrogenase 0.0239 0.1747 1
Loa Loa (eye worm) hypothetical protein 0.1277 1 1
Entamoeba histolytica SWIRM domain protein 0.01 0.0636 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0239 0.1747 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0239 0.1747 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0086 0.0357
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.003 0.0086 0.0062
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0086 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0283 0.0282
Onchocerca volvulus 0.1277 1 0.5
Schistosoma mansoni SWI/SNF complex-related 0.01 0.0636 0.0666
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0239 0.1747 1
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.01 0.0636 0.0666
Plasmodium vivax hypothetical protein, conserved 0.0239 0.1747 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0283 0.0259
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0024 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0239 0.1747 0.5
Entamoeba histolytica SWIRM domain protein 0.01 0.0636 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.1177 0.9208 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0086 0.0357
Echinococcus multilocularis 0.0239 0.1747 0.1875
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0239 0.1747 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0239 0.1747 0.1875
Plasmodium falciparum protoporphyrinogen oxidase 0.0239 0.1747 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0239 0.1747 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0283 0.0282
Schistosoma mansoni amine oxidase 0.0239 0.1747 0.1875
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0239 0.1747 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0239 0.1747 1
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0636 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0283 0.0282
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0086 0.0357
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0239 0.1747 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0086 0.0357
Plasmodium vivax hypothetical protein, conserved 0.0239 0.1747 1
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0636 1
Mycobacterium ulcerans monoamine oxidase 0.0239 0.1747 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0024 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0239 0.1747 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.2539 0.252
Brugia malayi SWIRM domain containing protein 0.01 0.0636 0.0636
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0239 0.1747 1
Brugia malayi hypothetical protein 0.003 0.0086 0.0086
Schistosoma mansoni amine oxidase 0.0239 0.1747 0.1875
Echinococcus multilocularis lysine specific histone demethylase 1A 0.1177 0.9208 1
Brugia malayi hypothetical protein 0.0239 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0239 0.1747 0.1726
Leishmania major UDP-galactopyranose mutase 0.0239 0.1747 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0636 0.0613
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0239 0.1747 0.1875

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.