Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0867)
Drug Name
Indacaterol maleate
Synonyms
Indacaterol; Indacaterol (USAN/INN); Indacaterol [USAN:INN:BAN]; Onbrez; QAB 149; QAB-149; QAB149; (R)-5-(2-(5,6-diethyl-2,3-dihydro-1H-inden-2-ylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one; 312753-06-3; 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one; 5-{(1R)-2-((5,6-Diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one; 8OR09251MQ; CHEBI:68575; CHEMBL1095777; UNII-8OR09251MQ; Arcapta; Arcapta Neohaler; Arcapta neohaler (TN); Hirobriz Breezhaler; IREJFXIHXRZFER-PCBAQXHCSA-N; Indacaterol (maleate); Indacaterol maleate; Indacaterol maleate (JAN/USAN); Indacaterol maleate [USAN]; Onbrez Breezhaler; Onbrez Inhalation Capsules; Oslif Breezhaler; QAB 149AFA; QAB-149 maleate; QAB-149-AFA; QAB149-AFA; SCHEMBL523627; indacaterol-maleate; 2474AH; 2JEC1ITX7R; AC-30121; AK163936; AS-10152; C24H28N2O3.C4H4O4; CHEBI:68573; CHEMBL1789842; CS-2703; HY-14299A; MFCD20526769; UNII-2JEC1ITX7R
Indication Chronic obstructive pulmonary disease [ICD11: CA22] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 508.6 Topological Polar Surface Area 156
Heavy Atom Count 37 Rotatable Bond Count 8
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
9827599
ChEBI ID
CHEBI:68573
CAS Number
753498-25-8
TTD Drug ID
D03DJL
Formula
C28H32N2O7
Canonical SMILES
CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.C(=CC(=O)O)C(=O)O
InChI
1S/C24H28N2O3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1
InChIKey
IREJFXIHXRZFER-PCBAQXHCSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
8-O-glucuronide DM004325 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004678 Indacaterol maleate 8-O-glucuronide Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
References
1 Indacaterol Maleate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Use of indacaterol for the treatment of COPD: a pharmacokinetic evaluation. Expert Opin Drug Metab Toxicol. 2014 Jan;10(1):129-37.
3 DrugBank(Pharmacology-Metabolism):Indacaterol maleate

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