Sucrosofate
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Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Sucrosofate
- DrugBank Accession Number
- DB01901
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 982.802
Monoisotopic: 981.770727994 - Chemical Formula
- C12H22O35S8
- Synonyms
- Sucrose octasulfate
- Sucrosofate
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AFibroblast growth factor 1 inhibitorHumans UFibroblast growth factor receptor 2 ligandHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Sucrosofate potassium E6JGE99TEM 76578-81-9 ZLYYTLMQNBUBHA-NGOJJLSFSA-F
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as disaccharide sulfates. These are disaccharides carrying one or more sulfate group on a sugar unit.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Disaccharide sulfates
- Alternative Parents
- O-glycosyl compounds / C-glycosyl compounds / Ketals / Sulfuric acid monoesters / Oxanes / Alkyl sulfates / Tetrahydrofurans / Oxacyclic compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Acetal / Aliphatic heteromonocyclic compound / Alkyl sulfate / C-glycosyl compound / Disaccharide sulfate / Glycosyl compound / Hydrocarbon derivative / Ketal / O-glycosyl compound / Organic oxide
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- oligosaccharide sulfate (CHEBI:45560)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- P7V86EYZ5L
- CAS number
- 57680-56-5
- InChI Key
- WEPNHBQBLCNOBB-UGDNZRGBSA-N
- InChI
- InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
- IUPAC Name
- [(2R,3R,4S,5S)-4-(sulfooxy)-2,5-bis[(sulfooxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}oxolan-3-yl]oxidanesulfonic acid
- SMILES
- OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 444237
- PubChem Substance
- 46504489
- ChemSpider
- 392225
- ChEMBL
- CHEMBL1235872
- ZINC
- ZINC000169654783
- PDB Entries
- 1afc / 2p39 / 2uus / 2uwn / 2v5e / 2v8e / 2yd8 / 2ygq / 3cu1 / 3j4p … show 8 more
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data1 Active Not Recruiting Treatment Malignant Solid Neoplasms 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.45 mg/mL ALOGPS logP -1.8 ALOGPS logP -4.1 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) -3.4 Chemaxon Physiological Charge -8 Chemaxon Hydrogen Acceptor Count 27 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 536.49 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 148.71 m3·mol-1 Chemaxon Polarizability 72.47 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.5139 Blood Brain Barrier + 0.8873 Caco-2 permeable - 0.6549 P-glycoprotein substrate Non-substrate 0.8349 P-glycoprotein inhibitor I Inhibitor 0.5 P-glycoprotein inhibitor II Non-inhibitor 0.9841 Renal organic cation transporter Non-inhibitor 0.8448 CYP450 2C9 substrate Non-substrate 0.9184 CYP450 2D6 substrate Non-substrate 0.8277 CYP450 3A4 substrate Non-substrate 0.6188 CYP450 1A2 substrate Non-inhibitor 0.7964 CYP450 2C9 inhibitor Non-inhibitor 0.8416 CYP450 2D6 inhibitor Non-inhibitor 0.8972 CYP450 2C19 inhibitor Non-inhibitor 0.7996 CYP450 3A4 inhibitor Non-inhibitor 0.9785 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.948 Ames test Non AMES toxic 0.6007 Carcinogenicity Non-carcinogens 0.5905 Biodegradation Not ready biodegradable 0.8581 Rat acute toxicity 2.4709 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.6907 hERG inhibition (predictor II) Non-inhibitor 0.8579
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 271.82327 predictedDeepCCS 1.0 (2019) [M+H]+ 273.54697 predictedDeepCCS 1.0 (2019) [M+Na]+ 279.87595 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsFibroblast growth factor 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Plays an important role in the regulation of cell survival, cell division, angiogenesis, cell differentiation and cell migration. Functions as a potent mitogen in vitro. Acts as a ligand for FGFR1 and integrins. Binds to FGFR1 in the presence of heparin leading to FGFR1 dimerization and activation via sequential autophosphorylation on tyrosine residues which act as docking sites for interacting proteins, leading to the activation of several signaling cascades. Binds to integrin ITGAV:ITGB3. Its binding to integrin, subsequent ternary complex formation with integrin and FGFR1, and the recruitment of PTPN11 to the complex are essential for FGF1 signaling. Induces the phosphorylation and activation of FGFR1, FRS2, MAPK3/ERK1, MAPK1/ERK2 and AKT1 (PubMed:18441324, PubMed:20422052). Can induce angiogenesis (PubMed:23469107)
- Specific Function
- Fibroblast growth factor receptor binding
- Gene Name
- FGF1
- Uniprot ID
- P05230
- Uniprot Name
- Fibroblast growth factor 1
- Molecular Weight
- 17459.58 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
2. DetailsFibroblast growth factor receptor 2
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Ligand
- Curator comments
- Bind to and stabilizes to protein.
- General Function
- Protein tyrosine kinase activity
- Specific Function
- Tyrosine-protein kinase that acts as cell-surface receptor for fibroblast growth factors and plays an essential role in the regulation of cell proliferation, differentiation, migration and apoptosi...
- Gene Name
- FGFR2
- Uniprot ID
- P21802
- Uniprot Name
- Fibroblast growth factor receptor 2
- Molecular Weight
- 92024.29 Da
References
- Hung KW, Kumar TK, Chi YH, Chiu IM, Yu C: Molecular cloning, overexpression, and characterization of the ligand-binding D2 domain of fibroblast growth factor receptor. Biochem Biophys Res Commun. 2004 Apr 23;317(1):253-8. [Article]
Drug created at June 13, 2005 13:24 / Updated at August 26, 2024 19:22