Natural Product (NP) Details

General Information of the NP (ID: NP6396)
Name
Ulinastatin
Synonyms
Urinastatin; Urinary trypsin inhibitor; Trypsin inhibitor MR-20; MR-20 (Magnetic powder); Uti(68); Acid-stable protease inhibitor; Urinary trypsin inhibitor (68); 2,4-Dioxaspiro[5.5]undec-8-ene, 3-(2-furanyl)-; 80449-31-6; Urinary trypsin inhibitor-like inhibitor (43); Trypsin inhibitor (human urine urinastatin protein moiety); 80449-32-7; 2,4-Dioxaspiro(5.5)undec-8-ene, 3-(2-furanyl)-; Miraclid; AC1L2Y1N; UTI68; 3-(2-Furanyl)-2,4-dioxaspiro(5.5)undec-8-ene; AC1Q70L4; AKOS025401879; CS-7119; MR 20 (magnetic p
    Click to Show/Hide
Species Origin Homo sapiens ...     Click to Show/Hide
Homo sapiens
Kingdom: Metazoa
Phylum: Chordata
Class: Mammalia
Order: Primates
Family: Hominidae
Genus: Homo
Species: Homo sapiens
Disease Preterm labour/delivery [ICD-11: JB00] Phase 3 [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -4.485
 
MDCK Permeability
 -4.607
 
PAMPA
 -
 
HIA
 - - -
 
Distribution
VDss
 0.049
 
PPB
 90.3%
 
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
 7.148
 
T1/2
 0.732
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.
    Click to Show/Hide
    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C13H16O3
PubChem CID
105102
Canonical SMILES
C1CC2(CC=C1)COC(OC2)C3=CC=CO3
InChI
1S/C13H16O3/c1-2-6-13(7-3-1)9-15-12(16-10-13)11-5-4-8-14-11/h1-2,4-5,8,12H,3,6-7,9-10H2
InChIKey
ODVKSTFPQDVPJZ-UHFFFAOYSA-N
CAS Number
CAS 80449-31-6
Herb ID
HBIN047482
TTD Drug ID
D0DF1R
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          5-fluorouracil      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
                    Molecule(s)
                    Regulation		 Down-regulation Expression WNT3A  Molecule Info 
Pathway MAP
                    In-vitro Model Huh-7 CVCL_0336 Adult hepatocellular carcinoma Homo sapiens
                    Experimental
                    Result(s)		 UTI enhanced the 5-FU sensitivity of HCC cells by attenuating their stemness via inhibiting Wnt/Beta-catenin signaling.
Target and Pathway
Target(s) Trypsin-1 (PRSS1)  Molecule Info  [1]
KEGG Pathway Neuroactive ligand-receptor interaction Click to Show/Hide
2 Pancreatic secretion
3 Protein digestion and absorption
4 Influenza A
Reactome Activation of Matrix Metalloproteinases Click to Show/Hide
2 Cobalamin (Cbl, vitamin B12) transport and metabolism
WikiPathways Activation of Matrix Metalloproteinases Click to Show/Hide
References
Reference 1 Intravenous administration of ulinastatin (human urinary trypsin inhibitor) in severe sepsis: a multicenter randomized controlled study. Intensive Care Med. 2014 Jun;40(6):830-8.
Reference 2 The combination of ulinastatin and 5-fluorouracil synergistically inhibits hepatocellular carcinoma growth. J Int Med Res. 2020 Mar;48(3):300060520909776.
 Download Picture         KEGG Link