L-Alpha-Glycerophosphorylserine
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Identification
- Generic Name
- L-Alpha-Glycerophosphorylserine
- DrugBank Accession Number
- DB02497
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 259.151
Monoisotopic: 259.045702941 - Chemical Formula
- C6H14NO8P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
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. 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
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glycerophosphoserines. These are lipids containing a glycerol moiety carrying a phosphoserine at the 3-position.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Glycerophospholipids
- Sub Class
- Glycerophosphoserines
- Direct Parent
- Glycerophosphoserines
- Alternative Parents
- L-alpha-amino acids / Phosphoethanolamines / Dialkyl phosphates / Secondary alcohols / Amino acids / 1,2-diols / Monocarboxylic acids and derivatives / Carboxylic acids / Primary alcohols / Organopnictogen compounds show 4 more
- Substituents
- 1,2-diol / Alcohol / Aliphatic acyclic compound / Alkyl phosphate / Alpha-amino acid / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Carbonyl group show 20 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- glycerol 1-phosphoserine (CHEBI:64945)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- ZWZWYGMENQVNFU-UHNVWZDZSA-N
- InChI
- InChI=1S/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)/t4-,5+/m1/s1
- IUPAC Name
- (2S)-2-amino-3-({[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)propanoic acid
- SMILES
- [H][C@@](O)(CO)COP(O)(=O)OC[C@]([H])(N)C(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1a8a
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 19.6 mg/mL ALOGPS logP -2.8 ALOGPS logP -4.3 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 1.51 Chemaxon pKa (Strongest Basic) 9.38 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 159.54 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 49.65 m3·mol-1 Chemaxon Polarizability 21.42 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 - 0.785 Blood Brain Barrier + 0.528 Caco-2 permeable - 0.7122 P-glycoprotein substrate Non-substrate 0.7665 P-glycoprotein inhibitor I Non-inhibitor 0.8534 P-glycoprotein inhibitor II Non-inhibitor 0.9639 Renal organic cation transporter Non-inhibitor 0.9419 CYP450 2C9 substrate Non-substrate 0.9126 CYP450 2D6 substrate Non-substrate 0.8235 CYP450 3A4 substrate Non-substrate 0.7084 CYP450 1A2 substrate Non-inhibitor 0.8896 CYP450 2C9 inhibitor Non-inhibitor 0.903 CYP450 2D6 inhibitor Non-inhibitor 0.9109 CYP450 2C19 inhibitor Non-inhibitor 0.8406 CYP450 3A4 inhibitor Non-inhibitor 0.7952 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9876 Ames test Non AMES toxic 0.7053 Carcinogenicity Non-carcinogens 0.7641 Biodegradation Ready biodegradable 0.535 Rat acute toxicity 1.9841 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.951 hERG inhibition (predictor II) Non-inhibitor 0.9193
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-01pn-3910000000-eaef71c592696a9473af Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-1900000000-a1d67ac791c384820187 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9200000000-62bc2a4d7f21f0933cc7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-9000000000-5fe7354bedcd6f7f7d4c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9100000000-242af17de285e0c0257d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0005-9400000000-94fc077e24662a6bb92d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-177256aadc387d9ad236 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 158.2842952 predictedDarkChem Lite v0.1.0 [M-H]- 145.91011 predictedDeepCCS 1.0 (2019) [M+H]+ 157.8442952 predictedDarkChem Lite v0.1.0 [M+H]+ 147.94347 predictedDeepCCS 1.0 (2019) [M+Na]+ 157.5332952 predictedDarkChem Lite v0.1.0 [M+Na]+ 154.03648 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsAnnexin A5
- 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 July 02, 2020 13:17