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

General Information of Drug (ID: DR0408)
Drug Name
Dalfampridine
Synonyms
Dalfampridine; EL-970; FAMPYRA; Fampridine; Fampridine-SR; Mi-W-3; Neurelan; Phillips 1861; Pimadin (free base); Prc 1237; Pyridine, 4-amino-; VMI 10-3; VMI-103; gamma-Aminopyridine; p-Aminopyridine; pyridin-4-amine; pyridin-4-ylamine; Amino-4 pyridine; Amino-4-Pyridine; Ampyra; Avitrol; Avitrol 200; Compound 1861; .gamma.-Aminopyridine; 4 Aminopyridine; 4- Aminopyridine; 4-AMINOPYRDINE; 4-AP; 4-Pyridinamine; 4-Pyridylamine; 4-amino-pyridine; 4-aminopyridine; 504-24-5; Amaya; Caswell No. 038; HSDB 6037; NSC 15041; UNII-BH3B64OKL9
Indication Multiple sclerosis [ICD11: 8A40] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 94.11 Topological Polar Surface Area 38.9
Heavy Atom Count 7 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
1727
PubChem SID
79008 ; 586317 ; 588069 ; 609871 ; 3131998 ; 7436395 ; 7980066 ; 8139900 ; 8149726 ; 8151260 ; 10524391 ; 11110683 ; 11113806 ; 11120234 ; 11120722 ; 11121210 ; 11121627 ; 11122107 ; 11335747 ; 11360986 ; 11362696 ; 11363049 ; 11365258 ; 11365611 ; 11367820 ; 11368173 ; 11370663 ; 11370664 ; 11371987 ; 11373421 ; 11374643 ; 11375982 ; 11376335 ; 11461958 ; 11485222 ; 11489229 ; 11490729 ; 11492827 ; 11493969 ; 11537232 ; 12014686 ; 15194226 ; 16957228 ; 17404596 ; 22391537 ; 24398105 ; 24856677 ; 24862717 ; 24891285 ; 26612183
ChEBI ID
CHEBI:34385
CAS Number
504-24-5
TTD Drug ID
D08YIN
Formula
C5H6N2
Canonical SMILES
C1=CN=CC=C1N
InChI
1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
InChIKey
NUKYPUAOHBNCPY-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
3-hydroxy-4-aminopyridine DM001865
2762419
Unclear 1 [3]
3-hydroxy-4-aminopyridine sulfate metabolite DM001866
92043695
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000717 Dalfampridine 3-hydroxy-4-aminopyridine Unclear CYP2E1 [3]
MR000718 Dalfampridine 3-hydroxy-4-aminopyridine sulfate metabolite Unclear CYP2E1 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
References
1 Dalfampridine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Dalfampridine: a medication to improve walking in patients with multiple sclerosis. Ann Pharmacother. 2012 Jul-Aug;46(7-8):1010-5.
3 LABEL:ALFAMPRIDINE tablet, extended release

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