umeclidinium

Ligand id: 7354

Name: umeclidinium

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: umeclidinium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 29.46
Molecular weight 428.26
XLogP 8.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2013), EMA (2014))
IUPAC Name
di(phenyl)-[1-[2-(phenylmethoxy)ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanol
International Nonproprietary Names
INN number INN
9551 umeclidinium bromide
Synonyms
GSK573719A | Incruse Ellipta®
Database Links
CAS Registry No. 869185-19-3
ChEMBL Ligand CHEMBL1187833
PubChem CID 11519070
Search Google for chemical match using the InChIKey FVTWTVQXNAJTQP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FVTWTVQXNAJTQP
Search PubMed clinical trials umeclidinium bromide
Search PubMed titles umeclidinium bromide
Search PubMed titles/abstracts umeclidinium bromide
Search UniChem for chemical match using the InChIKey FVTWTVQXNAJTQP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FVTWTVQXNAJTQP
Wikipedia Umeclidinium
Comments
The compound approved in Anoro Ellipta® is umeclidinium bromide (PubChem CID 11519069), and this preparation is documented in the INN record. We display the parent compound here.