Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0DW0Y)
DIG Name
Isomalt
Synonyms    Click to Show/Hide the Synonyms of This DIG
Isomalt; 1-O-alpha-D-Glucopyranosyl-D-mannitol; Palatinit; 20942-99-8; 64519-82-0; UNII-G97P6S66E9; G97P6S66E9; D-Mannitol, 1-O-alpha-D-glucopyranosyl-; (2R,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol; Isomaltidex; GalenIQ 980; a-D-Glcp-1,1-D-Mannitol; 1-o-d-glucopyranosyl-d-mannitol; CCRIS 3698; 1-O-beta-D-glucopyranosyl-D-mannitol; HSDB 7969; DSSTox_CID_753; DSSTox_RID_75770; DSSTox_GSID_20753; SCHEMBL154031; CHEMBL3187473; DTXSID60872321; CHEBI:150326; 6-O-a-D-Glucopyranosyl-D-glucitol; GPM; EINECS 244-122-4; Tox21_200914; MFCD03414194; ZINC31319586; NCGC00248874-01; NCGC00258468-01; CAS-64519-82-0; A14329; Q412068; W-109182; 570FC73A-80F5-464F-B47E-B9B4CC544121; UNII-3A0A6EFR5I component SERLAGPUMNYUCK-DCUALPFSSA-N; WURCS=2.0/2,2,1/[h1122h][a2122h-1a_1-5]/1-2/a6-b1; D-Glucitol, 6-O-alpha-D-glucopyranosyl-, mixed with 1-O-alpha-D-glucopyranosyl-D-mannitol; D-Glucitol, 6-O-alpha-D-glucopyranosyl-, mixt. with 1-O-alpha-D-glucopyranosyl-D-mannitol; (2R,3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol; (2R,3R,4R,5R)-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexane-1,2,3,4,5-pentaol
DIG Function
Binding agent; Coating agent; Diluent; Flavoring agent; Suspending agent
PubChem CID
88735
Formula
C12H24O11
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O
InChI
1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKey
SERLAGPUMNYUCK-DCUALPFSSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=88735"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 344.31 Topological Polar Surface Area 201
XlogP -5.2 Complexity 343
Heavy Atom Count 23 Rotatable Bond Count 8
Hydrogen Bond Donor Count 9 Hydrogen Bond Acceptor Count 11
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Lamivudine
 API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
 [1]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Valbenazine
 API Info
Dyskinesia [ICD-11: 8A02]
 [2]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Simethicone
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [3]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Colon cancer Caco-2 cells (Caco-2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 99390 nM (estimated based on the structural similarity with CHEMBL4539030 ) [4]
                    Structural Similarity Tanimoto coefficient = 0.979166667
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0025
References
1 FDA label for approved lamivudine from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved valbenazine from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved simethicone from the official website of the U.S. Food and Drug Administration.
4 Novel natural compounds from endophytic fungi with anticancer activity. Eur J Med Chem. 2018 Aug 5; 156:316-343.

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