CITALOPRAM

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Synonyms
Status
Molecule Category Free-form
ATC N06AB04
UNII 0DHU5B8D6V
EPA CompTox DTXSID8022826

Structure

InChI Key WSEQXVZVJXJVFP-UHFFFAOYSA-N
Smiles CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChI
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21FN2O
Molecular Weight 324.4
AlogP 3.81
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 36.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 10 - - -
Membrane receptor
- - - 292 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1.8-90 - 1.5-32.8 0.24-89
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 52
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
468 3-90 - 1.6-32.8 0.24-89
Rattus norvegicus
- 3-3.9 - 1.5-292 -

Related Entries

Environmental Exposure

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

Cross References

Resources Reference
ChEBI 77397
ChEMBL CHEMBL549
DrugBank DB00215
DrugCentral 663
FDA SRS 0DHU5B8D6V
Human Metabolome Database HMDB0005038
Guide to Pharmacology 4621
KEGG C07572
PharmGKB PA449015
PubChem 2771
SureChEMBL SCHEMBL946
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