Details of the Drug

General Information of Drug (ID: DM32GSJ)

Drug Name

Incruse Ellipta

Synonyms

Umeclidinium bromide; 869113-09-7; Umeclidinium (bromide); GSK573719A; Incruse Ellipta; UNII-7AN603V4JV; 7AN603V4JV; GSK-573719; 1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide; 1-(2-(benzyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromide; CHEMBL523299; Umeclidinium brom; Umeclidinium bromide [USAN:INN]; umeclidinii bromidum; 1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-, bromide (1:1); 1-Azoniabicyclo(2.2.2)octane, 4-(hydroxydiphenylmethyl)-1-(2

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

508.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

Clearance: The drug present in the plasma can be removed from the body at the rate of 35.95 mL/min/kg [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 19 hours [2]
Unbound Fraction: The unbound fraction of drug in plasma is 0.11% [2]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.23 L/kg [2]

Chemical Identifiers

Formula: C29H34BrNO2
IUPAC Name: diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol;bromide
Canonical SMILES: C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-]
InChI: InChI=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
InChIKey: PEJHHXHHNGORMP-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 11519069
ChEBI ID: CHEBI:79040
CAS Number: 869113-09-7
TTD ID: D09ZOQ
INTEDE ID: DR1659

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Antagonist	[3]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Clinical pipeline report, company report or official report of GlaxoSmithKline.
4	The combination of umeclidinium bromide and vilanterol in the management of chronic obstructive pulmonary disease: current evidence and future prospects. Ther Adv Respir Dis. 2013 Dec;7(6):311-9.