Detailed information for compound 1604915

Basic information

Technical information
  • TDR Targets ID: 1604915
  • Name: [2-(hydroxymethyl)-6-methoxyoxan-3-yl] methan esulfonate
  • MW: 240.274 | Formula: C8H16O6S
  • H donors: 1 H acceptors: 3 LogP: -0.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(OC)CCC1OS(=O)(=O)C
  • InChi: 1S/C8H16O6S/c1-12-8-4-3-6(7(5-9)13-8)14-15(2,10)11/h6-9H,3-5H2,1-2H3
  • InChiKey: GSUUIEBKGVTMLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl] methanesulfonate
  • methanesulfonic acid [2-(hydroxymethyl)-6-methoxy-3-tetrahydropyranyl] ester
  • methanesulfonic acid (6-methoxy-2-methylol-tetrahydropyran-3-yl) ester
  • [2-(hydroxymethyl)-6-methoxy-oxan-3-yl] methanesulfonate
  • NCI60_007019
  • AIDS-131379
  • AIDS131379
  • Methyl 2,3-dideoxy-4-O-(methylsulfonyl)hexopyranoside
  • NSC623652

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 hypothetical protein 0.0038 0.0025 0.0025
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2301 0.3881 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0158 0.0231 0.019
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0025 0.0025
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0066 0.0066
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.5894 1 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0066 0.0169
Schistosoma mansoni dihydroorotate dehydrogenase 0.5894 1 1
Echinococcus multilocularis tumor protein p63 0.0374 0.0599 0.1543
Brugia malayi jmjC domain containing protein 0.0061 0.0066 0.0066
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.5894 1 0.5
Echinococcus multilocularis geminin 0.0561 0.0916 0.2361
Brugia malayi hypothetical protein 0.0038 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0055 0.0054 0.1719
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.2301 0.3881 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.0316 1
Echinococcus granulosus geminin 0.0561 0.0916 0.2361
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0025 0.0065
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0335 0.0531 0.0492
Brugia malayi N-terminal motif family protein 0.0209 0.0316 0.0316
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0066 0.0066
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0066 0.0169
Brugia malayi Zinc finger, C2H2 type family protein 0.2301 0.3881 0.3881
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0055 0.0055
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0335 0.0531 0.0492
Plasmodium falciparum dihydroorotate dehydrogenase 0.5894 1 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.5894 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2301 0.3881 0.3856
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.5894 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0899 0.1491 0.3843
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2301 0.3881 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0055 0.1742
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2301 0.3881 0.5
Brugia malayi jmjC domain containing protein 0.0061 0.0066 0.0066
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5894 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0057 0.0059 0.0018
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0066 0.0169
Onchocerca volvulus 0.0055 0.0054 0.1719
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5894 1 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.5894 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2301 0.3881 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0025 0.0801
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0066 0.0169
Schistosoma mansoni hypothetical protein 0.0561 0.0916 0.0916
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2301 0.3881 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2301 0.3881 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.2301 0.3881 0.5
Leishmania major dihydroorotate dehydrogenase 0.5894 1 1
Echinococcus granulosus tumor protein p63 0.0374 0.0599 0.1543
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0158 0.0231 0.019
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2301 0.3881 0.5
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.5894 1 1
Leishmania major mitochondrial DNA polymerase beta 0.0335 0.0531 0.0307
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0066 0.2078
Schistosoma mansoni hypothetical protein 0.0561 0.0916 0.0916
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0066 0.0066
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0055 0.1742
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0025 0.0025
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.5894 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2301 0.3881 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2301 0.3881 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0209 0.0316 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0025 0.0065
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5894 1 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5894 1 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0025 0.0025
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0054 0.0054
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0335 0.0531 0.0492
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0055 0.0055

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma 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 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 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 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 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 SF-539 Central Nervous System 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 MALME-3M Melanoma 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.
 
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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