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

General Information of Drug (ID: DR0240)
Drug Name
Buflomedil
Synonyms
Bufedil; Buflan; Buflocit; Buflomedil (hydrochloride); Buflomedil HCl; Buflomedil hydrochloride; Fonzylane; Irrodan; Irrodan R; LL 1656; Lofton; Loftyl; Q-200766; 35543-24-9; 3J944AFS8S; 4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone hydrochloride; 4-(pyrrolidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride; A-48257; C17H25NO4.HCl; DSSTox_CID_26977; DSSTox_GSID_46977; DSSTox_RID_82032; EINECS 252-611-9; MFCD00078965; MLS000028735; SMR000058803; UNII-3J944AFS8S
Indication Arterial occlusive disease [ICD11: BD4Z] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 343.8 Topological Polar Surface Area 48
Heavy Atom Count 23 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
6420013
CAS Number
35543-24-9
TTD Drug ID
D0Z6ST
Formula
C17H26ClNO4
Canonical SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl
InChI
1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H
InChIKey
ZDPACSAHMZADFZ-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
12-C-oxidated buflomedil DM005629 N. A. Unclear 1 [4]
Paradesmethyl Buflomedil DM005628
183808
Unclear 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006004 Buflomedil Paradesmethyl Buflomedil Unclear Unclear [5]
MR006005 Buflomedil 12-C-oxidated buflomedil Unclear Unclear [4]
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]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT01718288) Optimization of Treatment in Patients With Severe Peripheral Ischemia (Fontaine Stage IIb).
2 DMW/ISSX 2000 Meeting. The Drug Metabolism Workshop/International Society for the Study of Xenobiotics. St. Andrews, Scotland, June 11-16, 2000. Abstracts. Drug Metab Rev. 2000;32 Suppl 1:1-136.
3 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
4 [Microbial transformation of buflomedil by Cunninghamella blakesleana AS 3.153]
5 An experimental overview of a new vasoactive drug: buflomedil HCl

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