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Compound InformationSONAR Target prediction
Name:

FLUOXETINE

Unique Identifier:SPE01504173
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:326.636 g/mol
X log p:20.104  (online calculus)
Lipinksi Failures1
TPSA9.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:7
Canonical Smiles:Cl.CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Source:synthetic
Therapeutics:antidepressant
Generic_name:Fluoxetine
Chemical_iupac_name:N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-propan-1-amine
Drug_type:Approved Drug
Pharmgkb_id:PA449673
Kegg_compound_id:C07990
Drugbank_id:APRD00530
Melting_point:179-182oC
H2o_solubility:50 mg/mL at 25°C
Logp:5.37
Cas_registry_number:54910-89-3
Drug_category:Antidepressants, Second-Generation; Selective Serotonin Reuptake Inhibitors (SSRIs);
ATC:N06AB03
Indication:For the treatment of depression, obsessive compulsive disorder, and bulimia nervosa.
Pharmacology:Fluoxetine, an antidepressant agent belonging to the selective serotonin reuptake
inhibitors (SSRIs), is used to treat depression, bulimia nervosa, premenstrual
dysphoric disorder, panic disorder and post-traumatic stress. According to the
amines hypothesis, a functional decrease in the activity of amines, such as
serotonin and norepinephrine, would result in depression; a functional increase of
the activity of these amines would result in mood elevation. Fluoxetine-s effects
are thought to be associated with the inhibition of 5HT receptor, which leads to an
increase of serotonin level.
Mechanism_of_action:Metabolized to norfluoxetine, fluoxetine is a selective serotonin-reuptake inhibitor
(SSRI), it blocks the reuptake of serotonin at the serotonin reuptake pump of the
neuronal membrane, enhancing the actions of serotonin on 5HT1A
autoreceptors. SSRIs bind with significantly less affinity to histamine,
acetylcholine, and norepinephrine receptors than tricyclic antidepressant drugs.
Organisms_affected:Humans and other mammals

Found: 11 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SPE00330001
Replicates: 2
Raw OD Value: r im 0.4183±0
Normalized OD Score: sc h 1.4755±0
Z-Score: 5.3799±0
p-Value: 0.000000074519
Z-Factor: 0.636075
Fitness Defect: 16.4122
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-08-17 YYYY-MM-DD
Plate CH Control (+):0.03845±0.00127
Plate DMSO Control (-):0.2835±0.01582
Plate Z-Factor:0.7942
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DBLink | Rows returned: 9<< Back 1 2
1548970 (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
6914091 1,1-dideuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
15940193 methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium

internal high similarity DBLink | Rows returned: 3
LOPAC 00510 1.0000
LOPAC 00908 1.0000
LOPAC 00909 1.0000

active | Cluster 2272 | Additional Members: 9 | Rows returned: 2
Prest266 0.517857142857143
Prest798 0

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