Natural Product (NP) Details

General Information of the NP (ID: NP2632)
Name
Fucoidan
Synonyms
ZINC97974745
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Species Origin Undaria pinnatifida ...     Click to Show/Hide
Undaria pinnatifida
SuperKingdom: Eukaryota
Class: Phaeophyceae
Order: Laminariales
Family: Alariaceae
Genus: Undaria
Species: Undaria pinnatifida
Disease Head and neck cancer [ICD-11: 2D42] Phase 2 [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -5.464
 
MDCK Permeability
 -5.1
 
PAMPA
 +
 
HIA
 +++
 
Distribution
VDss
 -0.717
 
PPB
 23.8%
 
BBB
 - - -
 
Metabolism
CYP1A2 inhibitor
 - - -
CYP1A2 substrate
 - - -
CYP2C19 inhibitor
 - - -
CYP2C19 substrate
 - - -
CYP2C9 inhibitor
 - - -
CYP2C9 substrate
 -
CYP2D6 inhibitor
 - - -
CYP2D6 substrate
 - - -
CYP3A4 inhibitor
 - - -
CYP3A4 substrate
 - - -
CYP2B6 inhibitor
 -
CYP2B6 substrate
 - - -
CYP2C8 inhibitor
 - - -
HLM Stability
 -
 
Excretion
CLplasma
 2.286
 
T1/2
 1.812
Toxicity
DILI
 ++
 
Rat Oral Acute Toxicity
 - -
 
FDAMDD
 - -
 
Respiratory
 -
 
Human Hepatotoxicity
 -
 
Ototoxicity
 -
 
Drug-induced Nephrotoxicity
 -
 
Drug-induced Neurotoxicity
 - -
 
Hematotoxicity
 ++
 
Genotoxicity
 +++
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C7H14O7S
PubChem CID
92023653
Canonical SMILES
CC1C(C(C(C(O1)C)OS(=O)(=O)O)O)O
InChI
1S/C7H14O7S/c1-3-5(8)6(9)7(4(2)13-3)14-15(10,11)12/h3-9H,1-2H3,(H,10,11,12)/t3-,4+,5-,6+,7-/m1/s1
InChIKey
NLMDZXKCTWKRSQ-IBISWUOJSA-N
Herb ID
HBIN026803
ETMC ID
7208
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Gemcitabine      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model SK-UT-1 CVCL_0533 Uterine corpus leiomyosarcoma Homo sapiens
MES-SA CVCL_1404 Uterine corpus sarcoma Homo sapiens
                    Experimental
                    Result(s)		 Isobolographic analysis demonstrates the additive and synergistic effects of gemcitabine combined with fucoidan in uterine sarcomas and carcinosarcoma cells.
References
Reference 1 ClinicalTrials.gov (NCT04597476) A Randomized, Double-blind Study to Evaluate the Clinical Effect and Safety of Fucoidan in Patients With Squamous Cell Carcinomas of the Head and Neck
Reference 2 Isobolographic Analysis Demonstrates the Additive and Synergistic Effects of Gemcitabine Combined with Fucoidan in Uterine Sarcomas and Carcinosarcoma Cells. Cancers (Basel). 2019 Dec 31;12(1):107.
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