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Compound InformationSONAR Target prediction
Name:

INOSITOL

Unique Identifier:SPE01504117
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6H12O6
Molecular Weight:168.061 g/mol
X log p:-0.408  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:0
Canonical Smiles:OC1C(O)C(O)C(O)C(O)C1O
Source:lipotropic polyol widely distributed in plants and animals
Therapeutics:growth factor
Generic_name:Mannitol
Chemical_iupac_name:hexane-1,2,3,4,5,6-hexaol
Drug_type:Approved Drug
Pharmgkb_id:PA450320
Kegg_compound_id:C00392
Drugbank_id:APRD01083
Melting_point:168 oC
H2o_solubility:216 mg/mL
Logp:-3.506
Cas_registry_number:69-65-8
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C608662&Index=0&Type=Mass&Large=on
Drug_category:Diuretics, Osmotic; Sweetening Agents; ATC:A06AD16; ATC:B05BC01; ATC:B05CX04
Indication:Used for the promotion of diuresis before irreversible renal failure becomes
established; The reduction of intracranial pressure, the treatment of cerebral
edema, and the promotion of urinary excretion of toxic substances.
Pharmacology:Chemically, mannitol is an alcohol and a sugar, or a polyol; it is similar to
xylitol or sorbitol. However, mannitol has a tendency to lose a hydrogen ion in
aqueous solutions, which causes the solution to become acidic. For this reason, it
is not uncommon to add a substance to adjust its pH, such as sodium bicarbonate.
Mannitol is commonly used to increase urine production (diuretic). It is also used
to treat or prevent medical conditions that are caused by an increase in body
fluids/water (e.g., cerebral edema, glaucoma, kidney failure). Mannitol is
frequently given along with other diuretics (e.g., furosemide, chlorothiazide)
and/or IV fluid replacement.
Mechanism_of_action:Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs
naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates
blood plasma osmolality, resulting in enhanced flow of water from tissues, including
the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result,
cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and
pressure may be reduced. As a diurectic mannitol induces diuresis because it is not
reabsorbed in the renal tubule, thereby increasing the osmolality of the glomerular
filtrate, facilitating excretion of water, and inhibiting the renal tubular
reabsorption of sodium, chloride, and other solutes. Mannitol promotes the urinary
excretion of toxic materials and protects against nephrotoxicity by preventing the
concentration of toxic substances in the tubular fluid. As an Antiglaucoma agent
mannitol levates blood plasma osmolarity, resulting in enhanced flow of water from
the eye into plasma and a consequent reduction in intraocular pressure. As a renal
function diagnostic aid mannitol is freely filtered by the glomeruli with less than
10% tubular reabsorption. Therefore, its urinary excretion rate may serve as a
measurement of glomerular filtration rate (GFR).
Organisms_affected:Humans and other mammals

Found: 101 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6800±0.0000707107
Normalized OD Score: sc h 0.9944±0.00128475
Z-Score: -0.3064±0.065176
p-Value: 0.759548
Z-Factor: -24.6276
Fitness Defect: 0.275
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00153
Plate DMSO Control (-):0.68835±0.02131
Plate Z-Factor:0.9201
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DBLink | Rows returned: 452 3 4 5 6 7 8 Next >> 
453 hexane-1,2,3,4,5,6-hexol
892 cyclohexane-1,2,3,4,5,6-hexol
3429 hexane-1,2,3,4,5-pentol
5780 (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
6251 (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
11850 (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol

internal high similarity DBLink | Rows returned: 3
JFD 00232 0.9333
NRB 03774 0.9375
SPE00202130 0.9375

active | Cluster 8944 | Additional Members: 3 | Rows returned: 0

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