Details of the Drug

General Information of Drug (ID: DMSFX75)

Drug Name

QVA-149

Synonyms

Glycopyrrolate mixture with indacaterol; 1262431-94-6; Utibron; Utibron Neohaler; Ultibro Breezhaler; Glycopyrrolate / indacaterol; Indacaterol / glycopyrronium; Indacaterol / glycopyrrolate; QVA149; QVA 149; Glycopyrronium bromide / indacaterol

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

790.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

11

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C43H56BrN3O6
IUPAC Name: 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one;(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide
Canonical SMILES: CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
InChI: InChI=1S/C24H28N2O3.C19H28NO3.BrH/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q;+1;/p-1/t22-;;/m0../s1
InChIKey: GCUZFFAPBPDIFM-IKXQUJFKSA-M

Cross-matching ID

PubChem CID: 11564052
CAS Number: 1262431-94-6
TTD ID: D0Q5AT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-2 (ADRB2)	TT2CJVK	ADRB2_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

ICD Disease Classification

12 Disease of the respiratory system

Disease Class

ICD-11: CA23 Asthma

The Studied Tissue

Lung tissue

The Studied Disease

Chronic obstructive pulmonary disease [ICD-11:CA23]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-2 (ADRB2)	DTT	ADRB2	4.88E-01	-0.05	-0.12
Adrenergic receptor beta-2 (ADRB2)	DTT	ADRB2	7.10E-01	0.06	0.09

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of Novartis.
2	Emerging drugs in chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2009 Mar;14(1):181-94.