Details of the Drug

General Information of Drug (ID: DMG1OPF)

Drug Name
Buflomedil
Synonyms Loftyl; Buflomedil hydrochloride
Indication
Disease Entry ICD 11 Status REF
Peripheral vascular disease BD4Z Approved [1]
ATC Code
C04AX20: Buflomedil
C04AX: Other peripheral vasodilators
C04A: PERIPHERAL VASODILATORS
C04: PERIPHERAL VASODILATORS
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 307.4
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Bioavailability
65% of drug becomes completely available to its intended biological destination(s) [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 5.6 mL/min/kg [4]
Elimination
23.6% of drug is excreted from urine in the unchanged form [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 3.3 hours [4]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 28.884 micromolar/kg/day [5]
Unbound Fraction
The unbound fraction of drug in plasma is 0.4% [4]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.3 L/kg [4]
Chemical Identifiers
Formula
C17H25NO4
IUPAC Name
4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
Canonical SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC
InChI
InChI=1S/C17H25NO4/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
InChIKey
OWYLAEYXIQKAOL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2467
ChEBI ID
CHEBI:94538
CAS Number
55837-25-7
UNII
V7I71DQ432
DrugBank ID
DB13510
TTD ID
D0Z6ST
INTEDE ID
DR0240

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [6]
Mephenytoin 4-hydroxylase (CYP2C19) DEGTFWK CP2CJ_HUMAN Substrate [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Oral buflomedil in the prevention of cardiovascular events in patients with peripheral arterial obstructive disease: a randomized, placebo-controlled, 4-year study. Circulation. 2008 Feb 12;117(6):816-22.
2 BDDCS applied to over 900 drugs
3 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
6 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.
7 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.