Detailed information for compound 1608407

Basic information

Technical information
  • TDR Targets ID: 1608407
  • Name: (3,5-dimethyl-6-oxo-2H-1,4-oxazin-3-yl)methyl 4-(hydroxymethyl)-2,4-dimethyl-1,3-oxazolidi ne-2-carboxylate
  • MW: 314.334 | Formula: C14H22N2O6
  • H donors: 2 H acceptors: 3 LogP: -1.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(C)COC(N1)(C)C(=O)OCC1(C)COC(=O)C(=N1)C
  • InChi: 1S/C14H22N2O6/c1-9-10(18)20-6-13(3,15-9)7-21-11(19)14(4)16-12(2,5-17)8-22-14/h16-17H,5-8H2,1-4H3
  • InChiKey: IVDWMMUHUNCHLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3,5-dimethyl-6-oxo-2H-1,4-oxazin-3-yl)methyl 4-(hydroxymethyl)-2,4-dimethyl-oxazolidine-2-carboxylate
  • 4-(hydroxymethyl)-2,4-dimethyl-2-oxazolidinecarboxylic acid (3,5-dimethyl-6-oxo-2H-1,4-oxazin-3-yl)methyl ester
  • 2,4-dimethyl-4-methylol-oxazolidine-2-carboxylic acid (6-keto-3,5-dimethyl-2H-1,4-oxazin-3-yl)methyl ester
  • NCI60_004672
  • (3,5-Dimethyl-6-oxo-3,6-dihydro-2H-1,4-oxazin-3-yl)methyl 4-(hydroxymethyl)-2,4-dimethyl-1,3-oxazolidine-2-carboxylate
  • NSC606535
  • AIDS015340
  • AIDS-015340

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0191 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0274 0.7477
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0001 0.0001
Brugia malayi Protein kinase domain containing protein 0.1402 0.2939 0.2938
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.0361 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0521 0.1052 0.1055
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0066 0.0079 0.0078
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.0361 1
Echinococcus multilocularis 0.3316 0.7035 0.8784
Schistosoma mansoni smad1 5 8 and 0.0035 0.0013 0.0012
Schistosoma mansoni vam6/vps39 related 0.1385 0.2902 0.2902
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0037 0.0018 0.0016
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0066 0.0079 0.0215
Echinococcus granulosus tar DNA binding protein 0.0074 0.0095 0.0094
Echinococcus granulosus smad 0.0035 0.0013 0.0012
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0095 0.0096
Schistosoma mansoni cellular tumor antigen P53 0.0109 0.017 0.0169
Brugia malayi hypothetical protein 0.0155 0.0269 0.0267
Brugia malayi Smad1 0.0035 0.0013 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0166 0.4316
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0042 0.0027 0.039
Entamoeba histolytica hypothetical protein 0.0155 0.0269 0.7309
Schistosoma mansoni hypothetical protein 0.1385 0.2902 0.2902
Schistosoma mansoni smad 0.0035 0.0013 0.0012
Schistosoma mansoni protein kinase 0.1402 0.2939 0.2938
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0155 0.0269 0.0334
Loa Loa (eye worm) intermediate filament protein 0.003 0.0001 0.0001
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0198 0.0361 0.036
Echinococcus granulosus serine protein kinase ATM 0.0037 0.0018 0.0016
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0013 0.0015
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.1402 0.2939 0.2949
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0055 0.0054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0055 0.0055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0274 0.7477
Echinococcus multilocularis microtubule associated protein 2 0.3772 0.8009 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0094 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0274 0.7477
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0155 0.0269 0.0268
Echinococcus multilocularis Smad4 0.0035 0.0013 0.0015
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0158 0.0275 0.0891
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.0299 0.8197
Schistosoma mansoni serine/threonine protein kinase 0.1402 0.2939 0.2938
Entamoeba histolytica hypothetical protein 0.0155 0.0269 0.7309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0166 0.4316
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0094 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0191 0.5037
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1385 0.2902 0.2902
Schistosoma mansoni hypothetical protein 0.0155 0.0269 0.0267
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0198 0.0361 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0166 0.4327
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0095 0.0096
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1385 0.2902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0252 0.684
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1385 0.2902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Echinococcus multilocularis tumor protein p63 0.0744 0.153 0.1909
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0166 0.4327
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0018
Onchocerca volvulus 0.1385 0.2902 1
Echinococcus granulosus serine:threonine protein kinase mig 15 0.4685 0.9964 1
Brugia malayi MH1 domain containing protein 0.0035 0.0013 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0051 0.0976
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.1385 0.2902 0.2912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0188 0.4963
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1385 0.2902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0252 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1402 0.2939 0.3668
Schistosoma mansoni protein kinase 0.3316 0.7035 0.7035
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0013 0.0015
Loa Loa (eye worm) hypothetical protein 0.4685 0.9964 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0027 0.0027
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0198 0.0361 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0094 0.0093
Loa Loa (eye worm) hypothetical protein 0.0055 0.0055 0.0055
Echinococcus granulosus tumor protein p63 0.0744 0.153 0.1534
Schistosoma mansoni smad1 5 8 and 0.0035 0.0013 0.0012
Onchocerca volvulus 0.0109 0.017 0.0584
Schistosoma mansoni fkbp-rapamycin associated protein 0.0037 0.0018 0.0016
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0198 0.0361 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0082 0.0113 0.0332
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0198 0.0361 0.1191
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.1402 0.2939 0.3668
Echinococcus granulosus Vam6:Vps39 protein 0.1385 0.2902 0.2912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0252 0.684
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0013 0.0012
Toxoplasma gondii target of rapamycin (TOR), putative 0.0147 0.0252 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0274 0.7477
Schistosoma mansoni hypothetical protein 0.0038 0.0018 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0252 0.684
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0094 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Brugia malayi hypothetical protein 0.1385 0.2902 0.2902
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0027 0.0266
Loa Loa (eye worm) hypothetical protein 0.004 0.0024 0.0024
Brugia malayi TAR-binding protein 0.0074 0.0095 0.0094
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0066 0.0079 0.0215
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0198 0.0361 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0037 0.0018 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0094 0.0093
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0094 0.5
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0158 0.0275 0.6934
Brugia malayi RNA binding protein 0.0074 0.0095 0.0094
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0066 0.0079 0.0078
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0066 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0037 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.1385 0.2902 0.2913
Schistosoma mansoni Smad4 0.0035 0.0013 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.0212 0.5673
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0018 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Schistosoma mansoni protein kinase 0.4702 1 1
Giardia lamblia GTOR 0.0198 0.0361 0.5
Brugia malayi MH1 domain containing protein 0.0035 0.0013 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0166 0.4327
Echinococcus granulosus microtubule associated protein 2 0.3772 0.8009 0.8038
Loa Loa (eye worm) transcription factor SMAD2 0.0521 0.1052 0.1055
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0095 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.0361 1
Schistosoma mansoni microtubule-associated protein tau 0.3772 0.8009 0.8009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0166 0.4327
Loa Loa (eye worm) hypothetical protein 0.003 0.0001 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0252 0.684
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0198 0.0361 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0188 0.4963
Brugia malayi Temporarily assigned gene name protein 59 0.1385 0.2902 0.2902
Echinococcus granulosus Smad4 0.0035 0.0013 0.0012
Schistosoma mansoni serine/threonine protein kinase 0.1402 0.2939 0.2938
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0252 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1402 0.2939 0.2949
Entamoeba histolytica hypothetical protein 0.0155 0.0269 0.7309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0252 0.684
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0198 0.0361 0.1191
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0095 0.0117
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0095 0.0094
Brugia malayi MH2 domain containing protein 0.0521 0.1052 0.1051
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1385 0.2902 0.2902
Loa Loa (eye worm) hypothetical protein 0.1385 0.2902 0.2913
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0095 0.0094
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0198 0.0361 0.0449
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0094 0.3269
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0066 0.0079 0.0215
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0198 0.0361 0.0361
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0055 0.0054
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0066 0.0079 0.0098
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0095 0.0094
Echinococcus multilocularis serine protein kinase ATM 0.0037 0.0018 0.002
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0171
Loa Loa (eye worm) hypothetical protein 0.1385 0.2902 0.2913
Echinococcus granulosus protein kinase 0.3316 0.7035 0.706
Trypanosoma cruzi target of rapamycin kinase 3 0.0158 0.0275 0.0891
Echinococcus multilocularis smad 0.0035 0.0013 0.0015
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.1385 0.2902 0.3623
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0013 0.0012
Loa Loa (eye worm) RNA binding protein 0.0074 0.0095 0.0096
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1402 0.2939 0.3668
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0274 0.7477
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0018 0.0017
Loa Loa (eye worm) phosphatidylinositol 3 0.0198 0.0361 0.0362
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0198 0.0361 0.1191
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0095 0.0094
Loa Loa (eye worm) Smad1 0.0035 0.0013 0.0013
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0013 0.0013
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.1402 0.2939 0.2949
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0094 0.0116
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.3316 0.7035 0.7061
Brugia malayi MH2 domain containing protein 0.0035 0.0013 0.0012
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0094 0.0094
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0037 0.0018 0.0016
Brugia malayi MH2 domain containing protein 0.0035 0.0013 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.0222 0.594
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0094 0.0138 0.0417
Entamoeba histolytica hypothetical protein 0.0155 0.0269 0.7309
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0095 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0191 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0166 0.4316
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0066 0.0079 0.0215
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0013 0.0012
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0018 0.0016
Schistosoma mansoni transcription factor LCR-F1 0.0155 0.0269 0.0267
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0094 0.0528
Schistosoma mansoni smad1 5 8 and 0.0035 0.0013 0.0012
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1402 0.2939 0.2949
Schistosoma mansoni rap gtpase-activating protein 0.1385 0.2902 0.2902
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0079 0.008
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0198 0.0361 0.1191

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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