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

General Information of Drug (ID: DR0532)
Drug Name
Dopamine hydrochloride
Synonyms
Dopamine (hydrochloride); Dopamine Fresenius; Dopamine HCl; Dopamine chloride; Dopamine hydrochloride; Dopamine.HCl; Dopastat; Dynatra; Revivan; UNII-7L3E358N9L; m-Hydroxytyramine hydrochloride; Dopamin; Dopamine; Dopamina; Dopamina [INN-Spanish]; Dopamine [INN:BAN]; Dopaminum; Dopaminum [INN-Latin]; Dophamine; Hydroxytyramin; L-DOPAMINE; Oxytyramine; Pyrocatechol, 4-(2-aminoethyl)-; Hydroxytyramine; 1,2-Benzenediol, 4-(2-aminoethyl)-; 2-(3,4-dihydroxyphenyl)ethylamine; 3,4-Dihydroxyphenylethylamine; 3,4-dihydroxyphenethylamine; 3-Hydroxtyramine; 3-Hydroxytyramine; 4-(2-Aminoethyl)-1,2-benzenediol; 4-(2-Aminoethyl)benzene-1,2-diol; 4-(2-Aminoethyl)catechol; 4-(2-Aminoethyl)pyrocatechol; 51-61-6; (Dopamine HCl); 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride; 2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride; 3,4-Dihydroxyphenethylamine hydrochloride; 3-Hydroxytyramine hydrochloride; 4-(2-Aminoethyl)pyrocatechol hydrochloride; 4-(2-aminoethyl)benzene-1,2-diol hydrochloride; 62-31-7; Cardiosteril
Indication Parkinsonism [ICD11: 8A00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 189.64 Topological Polar Surface Area 66.5
Heavy Atom Count 12 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
65340
ChEBI ID
CHEBI:4698
CAS Number
62-31-7
TTD Drug ID
D0T7OW
Formula
C8H12ClNO2
Canonical SMILES
C1=CC(=C(C=C1CCN)O)O.Cl
InChI
1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
InChIKey
CTENFNNZBMHDDG-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-MT DM000277
1669
Unclear 1 [2]
6-Hydroxydopamine DM006184
4624
Unclear 1 [9]
DHPA DM000279
119219
Unclear 1 [2]
Dopamine 3-O-sulfate DM000286
122136
Unclear 1 [9]
Dopamine 4-sulfate DM000287
123932
Unclear 1 [9]
Dopamine glucuronide DM000285
3082490
Unclear 1 [9]
Dopamine quinone DM006188
162602
Unclear 1 [9]
(3,4-Dihydroxyphenyl)acetic acid DM000280
547
Unclear 2 [2]
MHPA DM006183 N. A. Unclear 2 [2]
HVA DM003106
1738
Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006626 Dopamine hydrochloride DHPA Unclear MAO [2]
MR006629 Dopamine hydrochloride 3-MT Unclear COMT [2]
MR006632 Dopamine hydrochloride 6-Hydroxydopamine Unclear Unclear [9]
MR006633 Dopamine hydrochloride Dopamine 4-sulfate Unclear Unclear [9]
MR006634 Dopamine hydrochloride Dopamine 3-O-sulfate Unclear Unclear [9]
MR006635 Dopamine hydrochloride Dopamine glucuronide Unclear Unclear [9]
MR006636 Dopamine hydrochloride Dopamine quinone Unclear Unclear [9]
MR006630 3-MT MHPA Unclear MAO [2]
MR006627 DHPA DOPAC Unclear ALDH [2]
MR006628 DOPAC HVA Unclear COMT [2]
MR006631 MHPA HVA Unclear ALDH [2]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde dehydrogenase (ALDH) DMEN076 . Not Available Not Available [2]
Catechol O-methyltransferase (COMT) DME0043 Homo sapiens
COMT_HUMAN
2.1.1.6
[3]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[4]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[5]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[5]
Dopamine dehydroxylase (dadH) DME1037 Eggerthella lenta
DADH_EGGLN
1.1.1.-
[6]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[5]
Monoamine oxidase (MAO) DMEN059 . Not Available Not Available [2]
Monoamine oxidase type B (MAO-B) DME0045 Homo sapiens
AOFB_HUMAN
1.4.3.4
[7]
Sulfotransferase 1B1 (SULT1B1) DME0380 Homo sapiens
ST1B1_HUMAN
2.8.2.1
[8]
⏷ Show the Full List of 10  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Sulfotransferase 1B1 (SULT1B1) DME0380 Km = 0.0014 microM
ST1B1_HUMAN
[8]
References
1 Dopamine Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Membrane bound catechol-O-methytransferase is the dominant isoform for dopamine metabolism in PC12 cells and rat brain
3 Association between polymorphisms in catechol-O-methyltransferase (COMT) and cocaine-induced paranoia in European-American and African-American populations. Am J Med Genet B Neuropsychiatr Genet. 2011 Sep;156B(6):651-60.
4 Modulation of CYP1A2 enzyme activity by indoleamines: inhibition by serotonin and tryptamine. Pharmacogenetics. 1998 Jun;8(3):251-8.
5 Pharmacogenetics of schizophrenia. Am J Med Genet. 2000 Spring;97(1):98-106.
6 Discovery and inhibition of an interspecies gut bacterial pathway for Levodopa metabolism. Science. 2019 Jun 14;364(6445). pii: eaau6323.
7 Monoamine oxidases (MAO) in the pathogenesis of heart failure and ischemia/reperfusion injury. Biochim Biophys Acta. 2011 Jul;1813(7):1323-32.
8 Molecular cloning, expression, and functional characterization of novel mouse sulfotransferases. Biochem Biophys Res Commun. 1998 Jun 29;247(3):681-6.
9 DrugBank(Pharmacology-Metabolism): Dopamine hydrochloride

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