Detailed information for compound 725894

Basic information

Technical information
  • TDR Targets ID: 725894
  • Name: 8-[(3-methylphenyl)methyl]-1,4-dioxa-8-azaspi ro[4.5]decane
  • MW: 247.333 | Formula: C15H21NO2
  • H donors: 0 H acceptors: 0 LogP: 2.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)CN1CCC2(CC1)OCCO2
  • InChi: 1S/C15H21NO2/c1-13-3-2-4-14(11-13)12-16-7-5-15(6-8-16)17-9-10-18-15/h2-4,11H,5-10,12H2,1H3
  • InChiKey: CUTPRIBAWBLYJU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(3-methylbenzyl)-1,4-dioxa-8-azaspiro[4.5]decane
  • IVK/0015624

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
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.003 0.0019
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0165 0.0435
Loa Loa (eye worm) hypothetical protein 0.0051 0.006 0.016
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.006 0.0049
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0026 0.0015
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0029 0.7079
Brugia malayi GMP reductase 0.0699 0.1639 0.4323
Trypanosoma brucei glucosidase, putative 0.0037 0.0026 0.0069
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.0535 0.1364
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.0345 0.0909
Onchocerca volvulus 0.0048 0.0053 0.0258
Onchocerca volvulus 0.0038 0.0029 0.0112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0165 0.0154
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0029 0.0076
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0053 0.0042
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0076
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0029 0.7079
Brugia malayi beta-lactamase family protein 0.0038 0.0029 0.0076
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.1581 0.3791 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0029 0.0018
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1581 0.3791 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.1581 0.3791 0.3785
Mycobacterium tuberculosis Conserved protein 0.0038 0.0029 0.0023
Toxoplasma gondii ABC1 family protein 0.0038 0.0029 0.0076
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0883 0.2088 0.5482
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.0345 0.0334
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0076
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0053 0.0139
Onchocerca volvulus 0.0038 0.0029 0.0112
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.0517 0.1364
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0026 0.0069
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0076
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.1581 0.3791 0.3785
Loa Loa (eye worm) inositol-1 0.0039 0.003 0.008
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.1581 0.3791 1
Leishmania major hypothetical protein, conserved 0.0031 0.0011 0.0028
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0029 0.0076
Toxoplasma gondii kringle domain-containing protein 0.0031 0.0011 0.0028
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0069 0.0182
Loa Loa (eye worm) hypothetical protein 0.0051 0.006 0.0158
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0076
Echinococcus multilocularis microtubule associated protein 2 0.4127 1 1
Schistosoma mansoni microtubule-associated protein tau 0.4127 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.1581 0.3791 1
Loa Loa (eye worm) GMP reductase 0.0699 0.1639 0.4323
Leishmania major inosine-5-monophosphate dehydrogenase 0.1581 0.3791 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0053 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0165 0.0154
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0084 0.0146
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0084 0.0073
Onchocerca volvulus Putative GMP reductase 0.0699 0.1639 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.003 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0165 0.0435
Brugia malayi Inositol-1 0.0039 0.003 0.008
Brugia malayi follicle stimulating hormone receptor 0.0234 0.0506 0.1334
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0028
Brugia malayi beta-lactamase family protein 0.0038 0.0029 0.0076
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0029 0.0023
Onchocerca volvulus 0.0097 0.0172 0.0991
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.1581 0.3791 1
Onchocerca volvulus 0.0038 0.0029 0.0112
Schistosoma mansoni alpha glucosidase 0.0037 0.0026 0.0015
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0026 0.0069
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0026 0.0069
Brugia malayi mbt repeat family protein 0.0048 0.0053 0.0139
Brugia malayi beta-lactamase 0.0038 0.0029 0.0076
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0069 0.0058
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.003 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0084 0.0146
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.0398 0.0388
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0053 0.0042
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0069 0.0058
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0053 0.0042
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0029 0.7079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0165 0.0154
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.0517 0.1364
Brugia malayi MH2 domain containing protein 0.0239 0.0517 0.1364
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0053 0.0258
Brugia malayi Kringle domain containing protein 0.0031 0.0011 0.0028
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0699 0.1639 0.4279
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0029 0.0018
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0084 0.0222
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0699 0.1639 0.4292
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0069 0.0058
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0699 0.1639 0.4323
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.003 0.008
Mycobacterium tuberculosis Conserved protein 0.0038 0.0029 0.0023
Mycobacterium tuberculosis Conserved protein 0.0038 0.0029 0.0023
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0699 0.1639 0.4323
Loa Loa (eye worm) beta-lactamase 0.0038 0.0029 0.0076
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0053 0.0042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0165 0.0154
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.003 0.0019
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0069 0.0058
Trypanosoma cruzi GMP reductase 0.1581 0.3791 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.003 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0084 0.0222
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.003 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0029 0.0076
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0084 0.0073
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.0398 0.0388
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0029 0.0076
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.1581 0.3791 1
Loa Loa (eye worm) MBCTL1 0.0055 0.0069 0.0182
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.0345 0.0334
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.006 0.016
Schistosoma mansoni alpha-glucosidase 0.0145 0.0288 0.0277
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0026 0.0069
Brugia malayi mbt repeat family protein 0.0048 0.0053 0.0139
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.1581 0.3791 1
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0029 0.0023
Loa Loa (eye worm) IMP dehydrogenase 1 0.1581 0.3791 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0026 0.0069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0165 0.0154
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0029 0.7079
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0021 0.0055
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.003 0.0003
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1581 0.3791 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0031 0.0011 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0029 0.0076
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.1581 0.3791 1
Echinococcus multilocularis tumor protein p63 0.035 0.0788 0.0778
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0084 0.0146
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0029 0.0018
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0076
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0029 0.0023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0165 0.0154
Plasmodium falciparum cysteine repeat modular protein 1 0.0031 0.0011 0.0028
Leishmania major guanosine monophosphate reductase 0.1581 0.3791 1
Schistosoma mansoni hypothetical protein 0.0293 0.065 0.064
Echinococcus granulosus tumor protein p63 0.035 0.0788 0.0778
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0076
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0029 0.0076
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1581 0.3791 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.0345 0.0909
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0053 0.0042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0165 0.0154
Schistosoma mansoni hypothetical protein 0.0035 0.0021 0.001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.006 0.016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.006 0.016
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0084 0.0073
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.003 0.008
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0029 0.0023
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0883 0.2088 0.5482
Schistosoma mansoni inositol monophosphatase 0.0039 0.003 0.0019
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.1581 0.3791 0.3785
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0053 0.0042
Leishmania major hypothetical protein, conserved 0.0038 0.0029 0.0076
Schistosoma mansoni inositol monophosphatase 0.0039 0.003 0.0019
Schistosoma mansoni alpha-glucosidase 0.0145 0.0288 0.0277
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.0506 0.1334
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0029 0.0023
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0084 0.0073
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0029 0.7079
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.1581 0.3791 1
Trypanosoma brucei GMP reductase 0.1581 0.3791 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0029 0.0018
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.003 0.008
Brugia malayi Protein kinase domain containing protein 0.0031 0.0011 0.0028
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0084 0.0169
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0031 0.0011 0.0028
Trypanosoma cruzi GMP reductase 0.1581 0.3791 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0029 0.0023
Mycobacterium leprae Probable lipase LipE 0.0038 0.0029 0.0023
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.003 0.008
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0029 0.0023
Loa Loa (eye worm) hypothetical protein 0.0055 0.0069 0.0182
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.003 0.008
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0069 0.0058
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.0345 0.0334
Trichomonas vaginalis esterase, putative 0.0038 0.0029 0.7079
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0011 0.0028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0055
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0029 0.0023
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0026 0.0015
Toxoplasma gondii IMP dehydrogenas 0.1581 0.3791 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0053 0.0139
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0026 0.0069
Onchocerca volvulus 0.0051 0.006 0.0303
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.1581 0.3791 1

Activities

No activities found for this compound.

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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