Details of the Drug

General Information of Drug (ID: DMM0PDO)

Drug Name
Dalfampridine
Synonyms Ampyra (TN)
Indication
Disease Entry ICD 11 Status REF
Multiple sclerosis 8A40 Approved [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 94.11
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 17.3-21.6 mcg/L []
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 9.3 mL/min/kg [3]
Elimination
90.3% 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 3.5 hours [3]
Metabolism
The drug is metabolized via the liver []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 3.0356 micromolar/kg/day [4]
Unbound Fraction
The unbound fraction of drug in plasma is 1% [3]
Vd
The volume of distribution (Vd) of drug is 2.6 L/kg []
Chemical Identifiers
Formula
C5H6N2
IUPAC Name
pyridin-4-amine
Canonical SMILES
C1=CN=CC=C1N
InChI
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
InChIKey
NUKYPUAOHBNCPY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1727
ChEBI ID
CHEMBL284348
CAS Number
504-24-5
UNII
BH3B64OKL9
DrugBank ID
DB06637
TTD ID
D08YIN
INTEDE ID
DR0408
ACDINA ID
D00001
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Modulator [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2E1 (CYP2E1)
Main DME 		DEVDYN7 CP2E1_HUMAN Substrate [5]
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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Dalfampridine (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Polyethylene glycol DM4I1JP Moderate Increased risk of lowers seizure threshold by the combination of Dalfampridine and Polyethylene glycol. Irritable bowel syndrome [DD91] [6]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Magnesium stearate E00208 11177 lubricant
Silicon dioxide E00670 Not Available Anticaking agent; Opacifying agent; Viscosity-controlling agent
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Dalfampridine 10 mg tablet 10 mg 12 HR Extended Release Oral Tablet Oral
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References

1 Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
2 BDDCS applied to over 900 drugs
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 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
5 Dalfampridine: a medication to improve walking in patients with multiple sclerosis. Ann Pharmacother. 2012 Jul-Aug;46(7-8):1010-5.
6 Product Information. Suprep Bowel Prep Kit (magnesium/potassium/sodium sulfates). Braintree Laboratories, Braintree, MA.