Detailed information for compound 1131484

Basic information

Technical information
  • TDR Targets ID: 1131484
  • Name: 1-methyl-9-sulfanylidene-8,10-diazaspiro[5.5] undec-3-ene-7,11-dione
  • MW: 224.279 | Formula: C10H12N2O2S
  • H donors: 2 H acceptors: 2 LogP: 1.24 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC=CCC21C(=O)NC(=S)NC2=O
  • InChi: 1S/C10H12N2O2S/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15)
  • InChiKey: NUIUTZSHXPDKMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methyl-9-thioxo-8,10-diazaspiro[5.5]undec-3-ene-7,11-dione
  • 1-methyl-9-thioxo-8,10-diazaspiro[5.5]undec-3-ene-7,11-quinone
  • 67196-41-2
  • 11-Methyl-3-thioxo-2,4-diazaspiro(5.5)undec-8-ene-1,3,5-trione
  • 2,4-Diazaspiro(5.5)undec-8-ene-1,3,5-trione, 11-methyl-3-thioxo-
  • 4-24-00-02041 (Beilstein Handbook Reference)
  • BRN 0199013
  • 2,4-Diazaspiro[5.5]undec-8-ene-1,5-dione, 11-methyl-3-thioxo-
  • NSC117430

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
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
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0162 0.124 0.1359
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0621 0.6524 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0266 0.2429 0.3304
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0621 0.6524 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0621 0.6524 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0332 0.32 1
Loa Loa (eye worm) ILVBL protein 0.0376 0.3701 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0355 0.3463 0.4994
Mycobacterium ulcerans hypothetical protein 0.0621 0.6524 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0332 0.32 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0621 0.6524 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0162 0.124 0.1359
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0621 0.6524 1
Plasmodium falciparum acyl-CoA synthetase 0.0355 0.3463 0.5
Echinococcus granulosus snurportin 1 0.0372 0.3652 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0201 0.1681 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0332 0.32 1
Echinococcus multilocularis snurportin 1 0.0372 0.3652 0.1572
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0201 0.1681 0.5
Schistosoma mansoni hypothetical protein 0.0372 0.3652 0.6661
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0355 0.3463 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0355 0.3463 0.4994
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0201 0.1681 0.5
Brugia malayi hypothetical protein 0.0269 0.2468 0.3783
Giardia lamblia Fructose-bisphosphate aldolase 0.0332 0.32 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Mycobacterium ulcerans acetolactate synthase 0.0355 0.3463 0.4994
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3652 0.9607
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0621 0.6524 1
Schistosoma mansoni acetolactate synthase 0.0531 0.5483 1
Mycobacterium ulcerans hypothetical protein 0.0201 0.1681 0.208
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0355 0.3463 1
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.011 0.064 0.0378
Schistosoma mansoni acetolactate synthase 0.0531 0.5483 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0162 0.124 0.102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0332 0.32 1
Onchocerca volvulus 0.0055 0 0.5
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0201 0.1681 0.5
Brugia malayi RNA, U transporter 1 0.0099 0.0509 0.078
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0356 0.347 0.8125
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0621 0.6524 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2995 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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