FLUVOXAMINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N06AB08
UNII O4L1XPO44W
EPA CompTox DTXSID2044002

Structure

InChI Key CJOFXWAVKWHTFT-XSFVSMFZSA-N
Smiles 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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 95
Membrane receptor
- - - 36-36 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 3.8-540 - 1.46-458 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 29.2-43.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.8 - 458 29.2-95
Rattus norvegicus
- 540 - 36-36 -

Cross References

Resources Reference
ChEBI 5138
ChEMBL CHEMBL814
DrugBank DB00176
DrugCentral 1230
FDA SRS O4L1XPO44W
Guide to Pharmacology 7189
KEGG C07571
PDB FVX
PubChem 5324346
SureChEMBL SCHEMBL33983
ZINC ZINC000003872605
CONTENTS