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

General Information of Drug (ID: DR0244)
Drug Name
Bupranolol
Synonyms
BUPRANOLOL; Betadrenol; Bupranol; Bupranolol [INN:DCF]; Bupranololum; Bupranololum [INN-Latin]; HQIRNZOQPUAHHV-UHFFFAOYSA-N; KL 255; KL-255 [AS HYDROCHLORIDE]; Ophtorenin; SK&F 16805-A; 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol; 14556-46-8; 2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-((1,1-dimethylethyl)amino)-; 2-Propanol, 1-(tert-butylamino)-3-(6-chloro-m-tolyloxy)-; 3-(tert-Butylamino)-1-(6-chloro-m-tolyloxy)-2-propanol; B 1312; BRN 2272923; C14H22ClNO2
Indication Ventricular tachyarrhythmia [ICD11: BC71] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 271.78 Topological Polar Surface Area 41.5
Heavy Atom Count 18 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
2475
ChEBI ID
CHEBI:135123
CAS Number
14556-46-8
Formula
C14H22ClNO2
Canonical SMILES
CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O
InChI
1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
InChIKey
HQIRNZOQPUAHHV-UHFFFAOYSA-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
Carboxybupranolol DM006964
180626
Unclear 1 [3]
Unclear DM009999 N. A. Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007582 Bupranolol Unclear Unclear CYP2D6 [4]
MR007583 Bupranolol Carboxybupranolol Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (7ZRO0SC54Y)
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Determination of carboxybupranolol, the major metabolite of bupranolol, in human plasma by high-performance liquid chromatography
4 Interactions of bupranolol with the polymorphic debrisoquine/sparteine monooxygenase (CYP2D6). Eur J Clin Pharmacol. 1993;45(3):261-4.

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