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6-o-methylsulfonyl-d-glucose

2D Structure
3D Structure
Source:
General
Identifier MM17569
SMILES CS(=O)(=O)OCC(O)C(O)C(O)C(O)C=O
InChIKey NGFBWCCWRRVFQV-UHFFFAOYSA-N
MW [Da] 258.25

Automatically obtained from RDkit software.
LogP -3.39

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
4,6-di-o-methylsulfonyl-d-glucose
Similarity: 0.7659
Similarity to 4,6-di-o-methylsulfonyl-d-glucose
Tanimoto metric 0.7659
Cosine metric 0.8752
Dice metric 0.8674
MW:
336.34
PI:
0
Total passive interactions
6-o-methylsulfonyl-d-glucose
 0
4,6-di-o-methylsulfonyl-d-glucose
 0
LogP:
-3.41
AI:
1
Total active interactions
6-o-methylsulfonyl-d-glucose
 1
4,6-di-o-methylsulfonyl-d-glucose
 1
3,6-di-o-methylsulfonyl-d-glucose
Similarity: 0.7444
Similarity to 3,6-di-o-methylsulfonyl-d-glucose
Tanimoto metric 0.7444
Cosine metric 0.8628
Dice metric 0.8535
MW:
336.34
PI:
0
Total passive interactions
6-o-methylsulfonyl-d-glucose
 0
3,6-di-o-methylsulfonyl-d-glucose
 0
LogP:
-3.41
AI:
1
Total active interactions
6-o-methylsulfonyl-d-glucose
 1
3,6-di-o-methylsulfonyl-d-glucose
 1
MM348362
Similarity: 0.4038
Similarity to MM348362
Tanimoto metric 0.4038
Cosine metric 0.6354
Dice metric 0.5753
MW:
150.13
PI:
2
Total passive interactions
6-o-methylsulfonyl-d-glucose
 0
MM348362
 2
LogP:
-2.74
AI:
0
Total active interactions
6-o-methylsulfonyl-d-glucose
 1
MM348362
 0
+1 more

No data

Hide empty columns:
Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
SLC2A1
Non-inhibitor
1.28

Halmos T, Santarromana M, Antonakis K, Scherman D.: Synthesis of O-methylsulfonyl derivatives of D-glucose as potential alkylating agents for targeted drug delivery to the brain. Evaluation of their interaction with the human erythrocyte GLUT1 hexose transporter. Carbohydr Res, Volume 299 (1-2), 1997

Halmos T, Santarromana M, Antonakis K, Scherman D.: Synthesis of O-methylsulfonyl derivatives of D-glucose as potential alkylating agents for targeted drug delivery to the brain. Evaluation of their interaction with the human erythrocyte GLUT1 hexose transporter. Carbohydr Res, Volume 299 (1-2), 1997

Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.: Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J Cheminform, Volume 7, 31, 2015

Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.: Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J Cheminform, Volume 7, 31, 2015