Bioactive Compound Details

BioIDbio3015
NameUMECLIDINIUM BROMIDE
ChEMBL IDCHEMBL523299
Molecular FormulaC29H34BrNO2
Molecular Weight508.5
Molecular Weight (Monoisotopic)428.2584
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsANORO ELLIPTA|BROMURE D'UMECLIDINIUM|BROMURO DE UMECLIDINIO|GSK-573719A|GSK573719A|INCRUSE ELLIPTA|Incruse Ellipta (previously Incruse)|Rolufta Ellipta (previously Rolufta)|UMECLIDINIUM BROM|UMECLIDINIUM BROMIDE
SmilesOC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]
InchiInChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1
Inchi KeyPEJHHXHHNGORMP-UHFFFAOYSA-M
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities18.0
Np Likeness Score-0.04
Records Key['14o', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM (BROMIDE)', 'Umeclidinium bromide', 'UMECLIDINIUM BROMIDE', 'Umeclidinium (bromide)', 'Umeclidinium (bromide)', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM BROMIDE']
Records Name['4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane Bromide', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM (BROMIDE)', 'Umeclidinium bromide', 'UMECLIDINIUM BROMIDE', 'Umeclidinium (bromide)', 'Umeclidinium (bromide)', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM BROMIDE', 'UMECLIDINIUM BROMIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure