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

General Information of Drug (ID: DR5490)
Drug Name
Docarpamine
Synonyms Tanadopa (TN)
Indication Hypertension [ICD11: BA00-BA04] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 470.5 Topological Polar Surface Area 155
Heavy Atom Count 32 Rotatable Bond Count 16
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
71137
ChEBI ID
CHEBI:31513
CAS Number
74639-40-0
TTD Drug ID
D0K2TB
Formula
C21H30N2O8S
Canonical SMILES
CCOC(=O)OC1=C(C=C(C=C1)CCNC(=O)[C@H](CCSC)NC(=O)C)OC(=O)OCC
InChI
InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKey
ZLVMAMIPILWYHQ-INIZCTEOSA-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
DEC-TA-870 DM015393
3035510
Unclear - Unclear 1 [2]
Dopamine DM000276
681
Unclear - Unclear 2 [2]
(3,4-Dihydroxyphenyl)acetic acid DM000280
547
Unclear - Unclear 3 [2]
3-MT DM000277
1669
Unclear - Unclear 3 [2]
3'-Hydroxyphenylacetic acid DM004109
12122
Unclear - Unclear 4 [2]
HVA DM003106
1738
Unclear - Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008911 Docarpamine DEC-TA-870 Unclear - Unclear Unclear [2]
MR008912 DEC-TA-870 Dopamine Unclear - Unclear Unclear [2]
MR008913 Dopamine 3-methoxytyramine Unclear - Unclear COMT [2]
MR008915 Dopamine 3,4-dihydroxyphenylacetic acid Unclear - Unclear MAO [2]
MR008916 3,4-dihydroxyphenylacetic acid 3-hydroxyphenylacetic acid Unclear - Unclear Unclear [2]
MR008914 3-methoxytyramine Homovanillic acid Unclear - Unclear Unclear [2]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Catechol O-methyltransferase (COMT) DME0043 Homo sapiens
COMT_HUMAN
2.1.1.6
[2]
Monoamine oxidase (MAO) DMEN059 . Not Available Not Available [2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Metabolism of a new orally active dopamine prodrug, N-(N-acetyl-L-methionyl)-O,O-bis(ethoxycarbonyl)dopamine (TA-870) and dopamine after oral administration to rats and dogs

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