sertraline

Ligand id: 4798

Name: sertraline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 12.03
Molecular weight 305.07
XLogP 5.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
International Nonproprietary Names
INN number INN
5277 sertraline
Synonyms
CP-51974-1 | CP-519741 | Lustral® | Zoloft®
Database Links
CAS Registry No. 79617-96-2 (source: Scifinder)
ChEMBL Ligand CHEMBL809
DrugBank Ligand DB01104
GtoPdb PubChem SID 178101500
PubChem CID 68617
RCSB PDB Ligand SRE
Search Google for chemical match using the InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
Search Google for chemicals with the same backbone VGKDLMBJGBXTGI
Search PubMed clinical trials sertraline
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Search PubMed titles/abstracts sertraline
Search UniChem for chemical match using the InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
Search UniChem for chemicals with the same backbone VGKDLMBJGBXTGI
Wikipedia Sertraline
Comments
Marketed formulations may contain sertraline hydrochloride (PubChem CID 63009).