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Compound InformationSONAR Target prediction
Name:

Galanthamine hydrobromide

Unique Identifier:Prest236
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:BrC17H22NO3
Molecular Weight:346.091 g/mol
X log p:8.526  (online calculus)
Lipinksi Failures1
TPSA21.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:Br.COc1ccc2CN(C)CCC34C=CC(O)CC3Oc1c24
Generic_name:Galantamine
Chemical_iupac_name:(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2
]benzazepin-6-ol
Drug_type:Approved Drug
Pharmgkb_id:PA449726
Kegg_compound_id:C08526
Drugbank_id:APRD00206
Melting_point:269-270 oC (HBr salt)
H2o_solubility:10 mg/mL (HBr salt)
Logp:2.369
Cas_registry_number:357-70-0
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C357700&Index=0&Type=Mass&Large=on
Drug_category:Nootropic Agents; Parasympathomimetics; ATC:N06DA04
Indication:For the treatment of mild to moderate dementia of the Alzheimer-s type.
Pharmacology:Galantamine is a parasympathomimetic, specifically, a reversible cholinesterase
inhibitor. Galantamine is indicated for the treatment of mild to moderate dementia
of the Alzheimer-s type. Galantamine is postulated to exert its therapeutic effect
by enhancing cholinergic function. This is accomplished by increasing the
concentration of acetylcholine through reversible inhibition of its hydrolysis by
acetylcholinesterase. If this proposed mechanism of action is correct, Galantamine-s
effect may lessen as the disease process advances and fewer cholinergic neurons
remain functionally intact. There is no evidence that Galantamine alters the course
of the underlying dementing process.
Mechanism_of_action:Galantamine-s proposed mechanism of action involves the increase of the
concentration of acetylcholine through reversible inhibition of its hydrolysis by
acetylcholinesterase.
Organisms_affected:Humans and other mammals

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1972.0000±0
Normalized OD Score: sc h 0.9909±0
Z-Score: -0.2051±0
p-Value: 0.837468
Z-Factor: -8.77219
Fitness Defect: 0.1774
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:8|C9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):953±868.44324
Plate DMSO Control (-):1906.5±525.50956
Plate Z-Factor:-4.3660
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DBLink | Rows returned: 272 3 4 5 Next >> 
3449
9651
121587
199254
199255
203633

internal high similarity DBLink | Rows returned: 0

active | Cluster 423 | Additional Members: 3 | Rows returned: 0

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