amitriptyline

Ligand id: 200

Name: amitriptyline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 3.24
Molecular weight 277.18
XLogP 8.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1961))
IUPAC Name
dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine
International Nonproprietary Names
INN number INN
976 amitriptyline
Synonyms
amitryptiline
Elavil®
Endep®
Database Links
BindingDB Ligand 50020712
CAS Registry No. 50-48-6
ChEBI CHEBI:2666
ChEMBL Ligand CHEMBL629
DrugBank Ligand DB00321
PharmGKB Drug PA448385
PubChem CID 2160
RCSB PDB Ligand TP0
Search Google for chemical match using the InChIKey KRMDCWKBEZIMAB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KRMDCWKBEZIMAB
Search PubMed clinical trials amitriptyline
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Wikipedia Amitriptyline
Comments
Amitriptyline is a tricyclic antidepressant (TCA).