Details of the Drug

General Information of Drug (ID: DM4E8O9)

• Drug Name: Umeclidinium
• Synonyms: 573719

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 428.6
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• ADMET Property:
  Half-life: The concentration or amount of drug in body reduced by one-half in 11 hours [2]
  Metabolism: The drug is metabolized via the cytochrome P450 enzym 2D6 (CYP2D6) []
  Vd: The volume of distribution (Vd) of drug is 86 L []
• Chemical Identifiers:
  Formula: C29H34NO2+
  IUPAC Name: diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol
  Canonical SMILES: C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5
  InChI: InChI=1S/C29H34NO2/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/q+1
  InChIKey: FVTWTVQXNAJTQP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11519070
  ChEBI ID: CHEBI:79041
  CAS Number: 869185-19-3
  DrugBank ID: DB09076
  TTD ID: D00SLY
  VARIDT ID: DR00012
  ACDINA ID: D01512

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	Modulator	[1]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Umeclidinium

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Revefenacin	DMMP5SI	Moderate	Additive anticholinergic effects by the combination of Umeclidinium and Revefenacin.	Chronic obstructive pulmonary disease [CA22]	[3]

Coadministration of a Drug Treating the Disease Different from Umeclidinium (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Phenyltoloxamine	DMKAEQW	Moderate	Additive anticholinergic effects by the combination of Umeclidinium and Phenyltoloxamine.	Allergic/hypersensitivity disorder [4A80-4A8Z]	[4]
Belladonna	DM2RBWK	Moderate	Additive anticholinergic effects by the combination of Umeclidinium and Belladonna.	Infectious gastroenteritis/colitis [1A40]	[3]
Methylscopolamine	DM5VWOB	Moderate	Additive anticholinergic effects by the combination of Umeclidinium and Methylscopolamine.	Peptic ulcer [DA61]	[3]
Acrivastine	DMTIGA0	Moderate	Additive anticholinergic effects by the combination of Umeclidinium and Acrivastine.	Vasomotor/allergic rhinitis [CA08]	[3]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Umeclidinium eq 62.5mcg base/inh powder	eq 62.5mcg base/inh	Powder	Inhalation

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7354).
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] Cole JM, Sheehan AH, Jordan JK "Concomitant use of ipratropium and tiotropium in chronic obstructive plmonary disease." Ann Pharmacother 46 (2012): 1717-21. [PMID: 23170031]
• [4] Product Information. Anoro Ellipta (umeclidinium-vilanterol). GlaxoSmithKline, Research Triangle Park, NC.