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Compound InformationSONAR Target prediction
Name:

S-(+)-Fluoxetine hydrochloride

Unique Identifier:LOPAC 00908
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17ClF3H19NO
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
Class:Serotonin
Action:Inhibitor
Selectivity:Reuptake
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: 24 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8275±0.114066
Normalized OD Score: sc h 0.9971±0.0228523
Z-Score: -0.0978±0.669471
p-Value: 0.80404
Z-Factor: -9.06682
Fitness Defect: 0.2181
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:7|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04673125000000002±0.00247
Plate DMSO Control (-):0.7753±0.04573
Plate Z-Factor:0.8612
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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 00909 1.0000
SPE01504173 1.0000

active | Cluster 2272 | Additional Members: 9 | Rows returned: 3
Prest266 0.517857142857143
Prest798 0
SPE01504173 0

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