FLUVOXAMINE

Search structure
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AB08
UNII: O4L1XPO44W

Structure
InChI Key CJOFXWAVKWHTFT-XSFVSMFZSA-N
Smile COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
InChI
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21F3N2O2
Molecular Weight 318.34
AlogP 3.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 56.84
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Primary Target
SERT
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A1
- - - 57400 -
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 95
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - 8500 -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - 8000-17000 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 3100 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 4900-4900 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 39400 - - -
Membrane receptor
- - - 36-36 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1900 - 2-3 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 29
Unclassified protein
- - - 8439 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Depressive Disorder 4 D003866 ClinicalTrials
Obsessive-Compulsive Disorder 3 D009771 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Anxiety, Separation 3 D001010 ClinicalTrials
Phobia, Social 3 D000072861 ClinicalTrials
Anxiety Disorders 3 D001008 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Autistic Disorder 3 D001321 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Panic Disorder 2 D016584 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 54739-18-3
ChEBI 5138
ChEMBL CHEMBL814
DrugBank DB00176
DrugCentral 1230
EPA CompTox DTXSID2044002
FDA SRS O4L1XPO44W
Guide to Pharmacology 7189
KEGG C07571
PDB FVX
PubChem 5324346
SureChEMBL SCHEMBL33983
ZINC ZINC000003872605
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