L-Myo-Inositol-1-Phosphate
Identification
- Name
- L-Myo-Inositol-1-Phosphate
- Accession Number
- DB03542
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for L-Myo-Inositol-1-Phosphate (DB03542)
- Weight
- Average: 258.1199
Monoisotopic: 258.014068462 - Chemical Formula
- C6H11O9P
- Synonyms
- Not Available
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UInositol monophosphatase 1 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
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- 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 inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Alcohols and polyols
- Direct Parent
- Inositol phosphates
- Alternative Parents
- Cyclohexanols / Alkyl phosphates / Polyols / Organic oxides / Hydrocarbon derivatives / Organic anions
- Substituents
- Aliphatic homomonocyclic compound / Alkyl phosphate / Cyclohexanol / Hydrocarbon derivative / Inositol phosphate / Organic anion / Organic oxide / Organic phosphoric acid derivative / Phosphoric acid ester / Polyol
- Molecular Framework
- Aliphatic homomonocyclic compounds
- External Descriptors
- myo-inositol phosphate(2-), inositol phosphate oxoanion (CHEBI:58401)
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- INAPMGSXUVUWAF-PTQMNWPWSA-L
- InChI
- InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1
- IUPAC Name
- (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
- SMILES
- [H][C@]1(O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O)[C@]1([H])O
References
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 85.9 mg/mL ALOGPS logP -1.6 ALOGPS logP -3.9 ChemAxon logS -0.53 ALOGPS pKa (Strongest Acidic) 1.16 ChemAxon pKa (Strongest Basic) -3.6 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 5 ChemAxon Polar Surface Area 173.57 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 44.4 m3·mol-1 ChemAxon Polarizability 20.12 Å3 ChemAxon Number of Rings 1 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 - 0.8943 Blood Brain Barrier + 0.7776 Caco-2 permeable - 0.6439 P-glycoprotein substrate Non-substrate 0.7529 P-glycoprotein inhibitor I Non-inhibitor 0.908 P-glycoprotein inhibitor II Non-inhibitor 0.9843 Renal organic cation transporter Non-inhibitor 0.9433 CYP450 2C9 substrate Non-substrate 0.8509 CYP450 2D6 substrate Non-substrate 0.8472 CYP450 3A4 substrate Non-substrate 0.6158 CYP450 1A2 substrate Non-inhibitor 0.8689 CYP450 2C9 inhibitor Non-inhibitor 0.8454 CYP450 2D6 inhibitor Non-inhibitor 0.922 CYP450 2C19 inhibitor Non-inhibitor 0.8321 CYP450 3A4 inhibitor Non-inhibitor 0.9204 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.957 Ames test Non AMES toxic 0.8309 Carcinogenicity Non-carcinogens 0.7727 Biodegradation Ready biodegradable 0.6107 Rat acute toxicity 2.1507 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9024 hERG inhibition (predictor II) Non-inhibitor 0.921
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein homodimerization activity
- Specific Function
- Responsible for the provision of inositol required for synthesis of phosphatidylinositol and polyphosphoinositides and has been implicated as the pharmacological target for lithium action in brain....
- Gene Name
- IMPA1
- Uniprot ID
- P29218
- Uniprot Name
- Inositol monophosphatase 1
- Molecular Weight
- 30188.59 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. [PubMed:17139284]
- 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. [PubMed:17016423]
Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52