Identification
- Generic Name
- Serine vanadate
- DrugBank Accession Number
- DB04031
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Serine vanadate (DB04031)
- Weight
- Average: 220.0317
Monoisotopic: 219.966215258 - Chemical Formula
- C3H7NO7V
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UAlkaline phosphatase Not Available Escherichia coli (strain K12) - 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 l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-alpha-amino acids
- Alternative Parents
- Amino acids / Organic transition metal salts / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds / Organic anions
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / L-alpha-amino acid / Monocarboxylic acid or derivatives / Organic anion / Organic metal salt
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- SYKYEBJDHHGBFL-PUAMRSTPSA-M
- InChI
- InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7;;;;;/h2H,1,4H2,(H,6,7);1H2;;;;/q-1;;3*-1;+2/p-1/t2-;;;;;/m0...../s1
- IUPAC Name
- [(2S)-2-amino-2-carboxyethoxy](hydroxy)vanadiumtris(olate)
- SMILES
- N[C@@H](CO[V](O)([O-])([O-])[O-])C(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1b8j
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 32.5 mg/mL ALOGPS logP -2.5 ALOGPS logP -5.8 Chemaxon logS -0.92 ALOGPS pKa (Strongest Acidic) 1.25 Chemaxon pKa (Strongest Basic) 7.68 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 161.96 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 27.72 m3·mol-1 Chemaxon Polarizability 15.65 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 - 0.9259 Blood Brain Barrier + 0.7049 Caco-2 permeable - 0.6726 P-glycoprotein substrate Non-substrate 0.7863 P-glycoprotein inhibitor I Non-inhibitor 0.9801 P-glycoprotein inhibitor II Non-inhibitor 0.9917 Renal organic cation transporter Non-inhibitor 0.9536 CYP450 2C9 substrate Non-substrate 0.8966 CYP450 2D6 substrate Non-substrate 0.8282 CYP450 3A4 substrate Non-substrate 0.7271 CYP450 1A2 substrate Non-inhibitor 0.8424 CYP450 2C9 inhibitor Non-inhibitor 0.8878 CYP450 2D6 inhibitor Non-inhibitor 0.9149 CYP450 2C19 inhibitor Non-inhibitor 0.8621 CYP450 3A4 inhibitor Non-inhibitor 0.8843 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.989 Ames test Non AMES toxic 0.6884 Carcinogenicity Non-carcinogens 0.7523 Biodegradation Ready biodegradable 0.6922 Rat acute toxicity 1.9914 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9756 hERG inhibition (predictor II) Non-inhibitor 0.9619
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Not Available
- Gene Name
- phoA
- Uniprot ID
- P00634
- Uniprot Name
- Alkaline phosphatase
- Molecular Weight
- 49438.17 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52