retosiban

Ligand id: 8403

Name: retosiban

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 104.98
Molecular weight 494.25
XLogP 4.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
International Nonproprietary Names
INN number INN
8924 retosiban
Synonyms
GSK-221,149-A | GSK-221149A | GSK221149A
Database Links
CAS Registry No. 820957-38-8
ChEMBL Ligand CHEMBL429736
PubChem CID 11340891
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Wikipedia Retosiban
Comments
Retosiban is a investigational non-peptide oxytocin antagonist [3-4].