Sertraline

Basic Information

CAS ID: 79617-96-2
Molecular Formula: C17H17Cl2N
Molecular Weight: 306.2 g/mol
Monoisotopic Mass: 305.0738 g/mol
Class: Small Molecule
Natural Product: No
Other Names: SERTRALINE HYDROCHLORIDE | CP-51974-1 | BESITRON | AREMIS | ZOLOFT | SERTRALINE | LUSTRAL | CP-51,974-1
Analysis: Drug repositioning mechanism analysis

NH Cl Cl

Compound Structure and Identifier

InChI: InChI=1S/C17H17Cl2N/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/t12-,17-/m0/s1 See All
InChI Key: VGKDLMBJGBXTGI-SJCJKPOMSA-N
Smiles: CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0907 Sphingomyelin phosphodiesterase inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 19635928 Target ID T0907
Uniprot ID Sphingomyelin phosphodiesterase Name Sphingomyelin phosphodiesterase
Model vitro,human,mice Fibrosis Disease Cystic fibrosis
Process I attenue inflammation
Process II
Process III
Mechanism

Trial Record 1

ClinicalTrial ID NCT00058903 Disease Liver fibrosis
Phase Phase 2 Status Completed
First Received April 16, 2003 Last Verified January 13, 2010
Sponsor National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK)

Related Link

PubChem: 68617
ChEMBL: CHEMBL809