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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 << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SPE01503602
Replicates: 2
Raw OD Value: r im 0.1568±0.0187383
Normalized OD Score: sc h 0.3529±0.0337517
Z-Score: -4.1447±0.151838
p-Value: 0.0000376178
Z-Factor: -0.660514
Fitness Defect: 10.188
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.40 Celcius
Date:2006-11-15 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00163
Plate DMSO Control (-):0.41490000000000005±0.22464
Plate Z-Factor:-0.1707
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DBLink | Rows returned: 92 Next >> 
3386 N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
62857 N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
657320 hydrogen(+1) cation; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; chloride
1548967 methyl-[(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
1548968 (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
1548969 methyl-[(3R)-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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