FLUOXETINE

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Synonyms
Status
Molecule Category Free-form
ATC N06AB03
UNII 01K63SUP8D
EPA CompTox DTXSID7023067

Structure

InChI Key RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Smiles CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChI
InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18F3NO
Molecular Weight 309.33
AlogP 4.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 12
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 40-65 - - 36
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 20
Enzyme Hydrolase
- 130 - - -
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- - - - 31-84
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 10-457.09 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 6.31-605 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 12
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 15-710 - 109 13
Membrane receptor
- 15-710 - 6.31-605 12
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
2.7 2.5-563 0.81-240 0.72-794.33 1-89
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 14.3-77.22
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 55.32-77.22
Dengue virus 2
- 380 - - -
Homo sapiens
2.7 2.5-710 - 0.72-440 1-89
Mus musculus
- - - - 29-69.82
Rattus norvegicus
- 8.1-308 323 2.7-794.33 13

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 86990
ChEMBL CHEMBL41
DrugBank DB00472
DrugCentral 1209
FDA SRS 01K63SUP8D
Human Metabolome Database HMDB0014615
Guide to Pharmacology 203
PharmGKB PA449673
PubChem 3386
SureChEMBL SCHEMBL8353
CONTENTS