saredutant

Ligand id: 2111

Name: saredutant

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 52.65
Molecular weight 551.21
XLogP 6.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
International Nonproprietary Names
INN number INN
7487 saredutant
Synonyms
SR 48,968 | SR 48968 | SR-48,968 | SR48968 | SR48968C
Comments
Saredutant is a tachykinin NK2 receptor antagonist that was developed by Sanofi-Aventis for anti-depressant potential [5,7-8,10].
Database Links
BindingDB Ligand 50071484
CAS Registry No. 142001-63-6 (source: Scifinder)
ChEMBL Ligand CHEMBL308148
GtoPdb PubChem SID 135650980
PubChem CID 104974
Search Google for chemical match using the InChIKey PGKXDIMONUAMFR-AREMUKBSSA-N
Search Google for chemicals with the same backbone PGKXDIMONUAMFR
Search PubMed clinical trials saredutant
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Search PubMed titles/abstracts saredutant
Search UniChem for chemical match using the InChIKey PGKXDIMONUAMFR-AREMUKBSSA-N
Search UniChem for chemicals with the same backbone PGKXDIMONUAMFR
Wikipedia Saredutant