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targets (4)
for drugs
Identification
Name Myo-Inositol
Accession Number DB03106 (EXPT01892)
Type small molecule
Groups experimental
Description

An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction. [PubChem]
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories
  • Vitamin B Complex
CAS number Not Available
Weight Average: 180.1559
Monoisotopic: 180.063388116
Chemical Formula C6H12O6
InChI Key InChIKey=CDAISMWEOUEBRE-CDRYSYESSA-N
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
Plain Text
IUPAC Name
(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
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
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
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 4.85e+02 g/l ALOGPS
logP -2.6 ALOGPS
logP -3.8 ChemAxon
logS 0.43 ALOGPS
pKa (strongest acidic) 12.29 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 6 ChemAxon
hydrogen donor count 6 ChemAxon
polar surface area 121.38 ChemAxon
rotatable bond count 0 ChemAxon
refractivity 35.77 ChemAxon
polarizability 16.13 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 892 Link_out
PubChem Substance 46505198 Link_out
ChemSpider 868 Link_out
ChEBI 17268 Link_out
ChEMBL 17268 Link_out
Therapeutic Targets Database DNC000974 Link_out
HET INS Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. 1-phosphatidylinositol phosphodiesterase

Pharmacological action: unknown

Cleaves glycosylphosphatidylinositol (GPI) and phosphatidylinositol (PI) anchors but not PI phosphates

Organism class: bacterial
UniProt ID: P14262 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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

2. Glucosylceramidase

Pharmacological action: unknown

D-glucosyl-N-acylsphingosine + H(2)O = D- glucose + N-acylsphingosine

Organism class: human
UniProt ID: P04062 Link_out
Gene: GBA Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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

3. 1-phosphatidylinositol phosphodiesterase

Pharmacological action: unknown

Cleaves glycosylphosphatidylinositol (GPI) and phosphatidylinositol (PI) anchors but not PI phosphates. Important factor in pathogenesis, PI-PLC activity is present only in virulent listeria species. It may participate in the lysis of the phagolysosomal membrane

Organism class: bacterial
UniProt ID: P34024 Link_out
Gene: plcA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

4. CDP-diacylglycerol--inositol 3-phosphatidyltransferase

Pharmacological action: unknown
Actions: inhibitor

Catalyzes the biosynthesis of phosphatidylinositol (PtdIns) as well as PtdIns:inositol exchange reaction. May thus act to reduce an excessive cellular PtdIns content. The exchange activity is due to the reverse reaction of PtdIns synthase and is dependent on CMP, which is tightly bound to the enzyme

Organism class: human
UniProt ID: O14735 Link_out
Gene: CDIPT Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:21