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

General Information of Drug (ID: DR5471)
Drug Name
Budipine
Synonyms Parkinsan; BY-701
Indication Migraine [ICD11: 8A80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 293.4 Topological Polar Surface Area 3.2
Heavy Atom Count 22 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
68778
ChEBI ID
CHEBI:135228
CAS Number
57982-78-2
TTD Drug ID
D0RM9Q
Formula
C21H27N
Canonical SMILES
CC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
InChIKey
QIHLUZAFSSMXHQ-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
Budipine metabolite M1 DM016919 N. A. Oxidation - Hydroxylation 1 [2]
Budipine metabolite M3 DM016924 N. A. Unclear - Unclear 1 [2]
Budipine metabolite M2 DM016922 N. A. Conjugation - Sulfation 2 [2]
Budipine metabolite M4 DM016923 N. A. Unclear - Unclear 2 [2]
Budipine metabolite M5 DM016921 N. A. Unclear - Unclear 2 [2]
Budipine metabolite M5 DM016921 N. A. Oxidation - N-oxidation 2 [2]
Budipine metabolite M6 DM016920 N. A. Conjugation - Glucuronidation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007747 Budipine Budipine metabolite M1 Oxidation - Hydroxylation Unclear [2]
MR007752 Budipine Budipine metabolite M3 Unclear - Unclear Unclear [2]
MR007748 Budipine metabolite M1 Budipine metabolite M6 Conjugation - Glucuronidation Unclear [2]
MR007749 Budipine metabolite M1 Budipine metabolite M5 Oxidation - N-oxidation Unclear [2]
MR007750 Budipine metabolite M1 Budipine metabolite M2 Conjugation - Sulfation Unclear [2]
MR007751 Budipine metabolite M1 Budipine metabolite M4 Unclear - Unclear Unclear [2]
MR007753 Budipine metabolite M3 Budipine metabolite M5 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-glucuronidase (Gusb) DMEN854 Rattus norvegicus
BGLR_RAT
3.2.1.31
[2]
References
1 Multiple mechanisms of action: the pharmacological profile of budipine. J Neural Transm Suppl. 1999;56:83-105.
2 The metabolic fate of the anti-parkinsonian drug budipine in rats

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