SERTRALINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII UTI8907Y6X
EPA CompTox DTXSID1040243
Parent Compound: SERTRALINE

Structure

InChI Key BLFQGGGGFNSJKA-XHXSRVRCSA-N
Smiles CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChI
InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18Cl3N
Molecular Weight 342.7
AlogP 5.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Serotonin transporter inhibitor INHIBITOR Wikipedia FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 70-720 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 66.16-72.13
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 66.16-72.13
Rattus norvegicus
- 70 - - -

Target Conservation

Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 9124
ChEMBL CHEMBL1709
FDA SRS UTI8907Y6X
Guide to Pharmacology 4798
KEGG C07246
PDB SRE
PubChem 63009
SureChEMBL SCHEMBL23230
ZINC ZINC01853550
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