General
Preferred name
INOSITOL
Synonyms
meso-Inositol ()
i-Inositol ()
Myo-Inositol ()
myo-inositol ()
Inositol, myo- ()
NSC-8101 ()
Inositol, myo ()
NSC-404118 ()
Cyclohexanehexol ()
NSC-25142 ()
NSC-55551 ()
P&D ID
PD001929
CAS
87-89-8
Tags
natural product
drug
available
Approved by
FDA
Drug Status
investigational
approved
withdrawn
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
MOA The mechanism of action of inositol in brain disorders is not fully understood but it is thought that it may be involved in neurotransmitter synthesis and it is a precursor to the phosphatidylinositol cycle. The change that occurs in the cycle simulates when the postsynaptic receptor is activated but without activating the receptor. This activity provokes a fake activation which regulated the activity of monoamines and other neurotransmitters.[T184]; ; Reports have shown that insulin resistance plays a key role in the clinical development of PCOS. The presence of hyperinsulinemia can induce an excess in androgen production by stimulating ovaries to produce androgens and by reducing the sex hormone binding globulin serum levels. One of the mechanisms of insulin deficiency is thought to be related to a deficiency in inositol in the inositolphosphoglycans. The administration of inositol allows it to act as a direct messenger of the insulin signaling and improves glucose tissue uptake.[A32800] This mechanism is extrapolated to its functions in diabetes treatment, metabolic syndrome, and weight loss.[F17]; ; In cancer, the mechanism of action of inositol is not fully understood. It is hypothesized that the administration of inositol increases the level of lower-phosphate inositol phosphates why can affect cycle regulation, growth, and differentiation of malignant cells. On the other hand, the formation of inositol hexaphosphate after administration of inositol presents antioxidant characteristics by the chelation of ferric ions and suppression of hydroxyl radicals.[A32801]
DESCRIPTION PubChem CID 892 shows the non-chiral inositol structure (GtoPdb)
PHARMACODYNAMICS Inositol can stimulate glucose uptake in skeletal muscle cells which allows the decrease in blood sugar levels. This effect is later seen as a reduction in urine glucose concentration and indicates a decrease in high blood sugar levels.[A32776]; ; In PCOS, the administration of inositol has produced the remission of symptoms as well as a reduction in male hormone secretion[A32777], a regulation of the cholesterol level,[A32768] and a more efficient fat breakdown which allow to a significant reduction on body mass and appetite.[A32779]; ; In the cases of infertility, inositol has been proven to increase sperm count and motility,[A32794] as well as increase the overall quality of oocytes and embryos.[A32795]; ; In the brain, inositol has been shown to produce an increase in serotonin receptor sensitivity. This activity produces an increase in GABA release.[A32781] Some of the effects observed in the brain produced a relief in symptoms of anxiety and obsessive-compulsive disorders.[A32783] In high doses, it has been shown to even reduce panic attacks.[A32784]; ; In cancer research, inositol has gained interest as it can act as an antioxidant, anti-inflammatory and it seems to enhance immune properties.[A32771]
Compound Sets
18
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
Enamine BioReference Compounds
Guide to Pharmacology
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
External IDs
47
Properties
(calculated by RDKit )
Molecular Weight
180.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
6
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
-3.83
TPSA
121.38
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
VB
CDIPT
Endogenous Metabolite
MOA
Vitamin antagonist
insulin sensitizer
Indication
polycystic ovary syndrom (PCOS)
Source data