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

General Information of Drug (ID: DR5422)
Drug Name
Methyldopate Hydrochloride
Synonyms .
Indication Hypertension [ICD11: BA00-BA04] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 275.73 Topological Polar Surface Area 92.8
Heavy Atom Count 18 Rotatable Bond Count 5
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
17276
CAS Number
2508-79-4
TTD Drug ID
D0Y6KO
Formula
C12H18ClNO4
Canonical SMILES
CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N.Cl
InChI
InChI=1S/C12H17NO4.ClH/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8;/h4-6,14-15H,3,7,13H2,1-2H3;1H/t12-;/m0./s1
InChIKey
QSRVZCCJDKYRRF-YDALLXLXSA-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
3,4-Dihydroxyphenylacetone DM015369
2762430
Multi-steps Reaction - Deamination; decarboxylation 1 [3] , [4] , [5]
3-O-methyl-alpha-methyldopa DM000289
9307
Conjugation - O-methylation 1 [6] , [7] , [3]
Alpha-methyldopa-mono-O-sulfate DM016406
91799718
Conjugation - Sulfation 1 [3] , [4] , [6]
HHA DM006813
17005
Reduction - Decarboxylation 1 [8] , [6] , [7] , [3]
3,4-Dihydroxyphenylacetone glucuronide DM017448 N. A. Conjugation - Glucuronidation 2 [2]
3-O-methyl-alpha-methyldopa sulfate DM017447 N. A. Conjugation - Sulfation 2 [2]
3-O-methyl-alpha-methyldopamine DM015253
197139
Conjugation - O-methylation 2 [2]
Alpha-methylnorepinephrine DM014866
3917
Oxidation - Hydroxylation 2 [2]
Alpha-methylepinephrine DM014957
13683
Oxidation - Methylation 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008689 Methyldopate Hydrochloride Alpha-methyldopamine Reduction - Decarboxylation DDC [8], [6], [7], [3]
MR008693 Methyldopate Hydrochloride 3-O-methyl-alpha-methyldopa Conjugation - O-methylation COMT [6], [7], [3]
MR008695 Methyldopate Hydrochloride 3,4-Dihydroxyphenylacetone Multi-steps Reaction - Deamination; decarboxylation DDC [3], [4], [5]
MR008697 Methyldopate Hydrochloride Alpha-methyldopa-mono-O-sulfate Conjugation - Sulfation SULT [3], [4], [6]
MR008696 3,4-Dihydroxyphenylacetone 3,4-Dihydroxyphenylacetone glucuronide Conjugation - Glucuronidation UGT [2]
MR008694 3-O-methyl-alpha-methyldopa 3-O-methyl-alpha-methyldopa sulfate Conjugation - Sulfation SULT [2]
MR008690 Alpha-methyldopamine Alpha-methylnorepinephrine Oxidation - Hydroxylation DBH [2]
MR008692 Alpha-methyldopamine 3-O-methyl-alpha-methyldopamine Conjugation - O-methylation COMT [2]
MR008691 Alpha-methylnorepinephrine Alpha-methylepinephrine Oxidation - Methylation PNMT [2]
⏷ Show the Full List of 9 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Dopamine beta-hydroxylase (DBH) DMEN008 Homo sapiens
DOPO_HUMAN
7.1.1.9
[2]
Sulfotransferase (SULT) DMEN061 . Not Available Not Available [2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 DrugBank(Pharmacology-Metabolism):Methyldopate Hydrochloride
3 THE METABOLISM OF METHYLDOPA IN HYPERTENSIVE HUMAN SUBJECTS
4 Clinical pharmacokinetics of methyldopa
5 Reaction of dopa decarboxylase with alpha-methyldopa leads to an oxidative deamination producing 3,4-dihydroxyphenylacetone, an active site directed affinity label
6 Sulfate and methyldopa metabolism: metabolite patterns and platelet phenol sulfotransferase activity. Clin Pharmacol Ther. 1985 Mar;37(3):308-15.
7 The metabolism of 14 C-labelled -methyldopa in normal and hypertensive human subjects
8 Antihypertensive metabolites of alpha-methyldopa

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