SERTRALINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1991)
Entry Type: Small molecule
Molecule Category: Salt
UNII: UTI8907Y6X
Parent Compound: SERTRALINE

Structure
InChI Key BLFQGGGGFNSJKA-XHXSRVRCSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Serotonin transporter 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
- 520 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 66

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obsessive-Compulsive Disorder 4 D009771 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Intellectual Disability 2 D008607 ClinicalTrials
Panic Disorder 2 D016584 ClinicalTrials
Huntington Disease 1 D006816 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
18.05
Nervous system disorders
14.01
General disorders and administration site conditions
11.47
Injury, poisoning and procedural complications
6.41
Gastrointestinal disorders
6.04
Cardiac disorders
5.96
Congenital, familial and genetic disorders
4.84
Vascular disorders
4.38
Musculoskeletal and connective tissue disorders
3.89
Pregnancy, puerperium and perinatal conditions
3.66
Respiratory, thoracic and mediastinal disorders
3.48
Skin and subcutaneous tissue disorders
2.73
Investigations
2.52
Metabolism and nutrition disorders
2.3
Immune system disorders
2.16

Cross References

Resources Reference
ChEBI 9124
ChEMBL CHEMBL1709
EPA CompTox DTXSID1040243
FDA SRS UTI8907Y6X
Guide to Pharmacology 4798
KEGG C07246
PDB SRE
PubChem 63009
SureChEMBL SCHEMBL23230
ZINC ZINC01853550
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