Identification
- Generic Name
- sn-glycero-3-phosphoethanolamine
- DrugBank Accession Number
- DB03484
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for sn-glycero-3-phosphoethanolamine (DB03484)
- Weight
- Average: 215.1415
Monoisotopic: 215.055873697 - Chemical Formula
- C5H14NO6P
- Synonyms
- Glycerophosphoethanolamine
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UAnnexin A5 Not Available Humans - 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.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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glycerophosphoethanolamines. These are glycerolipids characterized by an ethanolamine ester of glycerophosphoric acid. As is the case with diacylglycerols, glycerophosphoethanolamines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Glycerophospholipids
- Sub Class
- Glycerophosphoethanolamines
- Direct Parent
- Glycerophosphoethanolamines
- Alternative Parents
- Phosphoethanolamines / Dialkyl phosphates / Secondary alcohols / 1,2-diols / Primary alcohols / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
- Substituents
- 1,2-diol / Alcohol / Aliphatic acyclic compound / Alkyl phosphate / Amine / Dialkyl phosphate / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- glycerophosphatidylethanolamine (CHEBI:16929)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 966T5WN0AC
- CAS number
- 59734-15-5
- InChI Key
- JZNWSCPGTDBMEW-YFKPBYRVSA-N
- InChI
- InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1
- IUPAC Name
- (2-aminoethoxy)[(2S)-2,3-dihydroxypropoxy]phosphinic acid
- SMILES
- [H][C@](O)(CO)COP(O)(=O)OCCN
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0059660
- PubChem Compound
- 5459861
- PubChem Substance
- 46505577
- ChemSpider
- 4573608
- ChEBI
- 57952
- ZINC
- ZINC000004095591
Clinical Trials
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 36.5 mg/mL ALOGPS logP -2.3 ALOGPS logP -3.4 Chemaxon logS -0.77 ALOGPS pKa (Strongest Acidic) 1.87 Chemaxon pKa (Strongest Basic) 10 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 122.24 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 43.82 m3·mol-1 Chemaxon Polarizability 18.88 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.7964 Blood Brain Barrier + 0.5161 Caco-2 permeable - 0.6689 P-glycoprotein substrate Non-substrate 0.6468 P-glycoprotein inhibitor I Non-inhibitor 0.808 P-glycoprotein inhibitor II Non-inhibitor 0.8977 Renal organic cation transporter Non-inhibitor 0.8695 CYP450 2C9 substrate Non-substrate 0.9088 CYP450 2D6 substrate Non-substrate 0.7929 CYP450 3A4 substrate Non-substrate 0.6661 CYP450 1A2 substrate Non-inhibitor 0.8031 CYP450 2C9 inhibitor Non-inhibitor 0.8997 CYP450 2D6 inhibitor Non-inhibitor 0.9249 CYP450 2C19 inhibitor Non-inhibitor 0.8747 CYP450 3A4 inhibitor Non-inhibitor 0.8453 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9643 Ames test Non AMES toxic 0.6324 Carcinogenicity Non-carcinogens 0.7514 Biodegradation Not ready biodegradable 0.6071 Rat acute toxicity 1.9330 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.662 hERG inhibition (predictor II) Non-inhibitor 0.7868
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Phospholipid binding
- Specific Function
- This protein is an anticoagulant protein that acts as an indirect inhibitor of the thromboplastin-specific complex, which is involved in the blood coagulation cascade.
- Gene Name
- ANXA5
- Uniprot ID
- P08758
- Uniprot Name
- Annexin A5
- Molecular Weight
- 35936.375 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]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52