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

General Information of Drug (ID: DR1191)
Drug Name
Olodaterol hydrochloride
Synonyms
Olodaterol HCl; Olodaterol hydrochloride [usan]; BI 1744 CL; BI 1744 hydrochloride; BI-1744 HCl; Bi-1744-cl; OLODATEROL HYDROCHLORIDE; SCHEMBL560669; olodaterol-hydrochloride; 6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride; 6-hydroxy-8-{(1r)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl}-4h-1,4-benzoxazin-3-one hydrochloride; 65R445W3V9; 869477-96-3; CHEBI:83309; UNII-65R445W3V9
Indication Chronic obstructive pulmonary disease [ICD11: CA22] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 422.9 Topological Polar Surface Area 100
Heavy Atom Count 29 Rotatable Bond Count 7
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
11711522
ChEBI ID
CHEBI:91366
CAS Number
869477-96-3
TTD Drug ID
D04UTT
Formula
C21H27ClN2O5
Canonical SMILES
CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=C3C(=CC(=C2)O)NC(=O)CO3)O.Cl
InChI
1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H/t18-;/m0./s1
InChIKey
KCEHVJZZIGJAAW-FERBBOLQSA-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
O-demethylated olodaterol DM002293
68462988
Oxidation - O-Demethylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001818 Olodaterol hydrochloride O-demethylated olodaterol Oxidation - O-Demethylation CYP2C8 ... [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
References
1 Olodaterol Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA Label of Olodaterol. The 2020 official website of the U.S. Food and Drug Administration.
3 DrugBank(Pharmacology-Metabolism)Olodaterol hydrochloride

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