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
CHEMBL94538
CAS Number
55837-25-7
UNII
V7I71DQ432
DrugBank ID
DB13510
TTD ID
D0Z6ST
INTEDE ID
DR0240
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.