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

General Information of Drug (ID: DR1655)
Drug Name
CoQ-10
Synonyms
CoQ 10; CoQ(sub 10); Coenzyme Q; Coenzyme Q 10; Coenzyme Q(sub 10); Coenzyme Q-10; Coenzyme Q10; EJ27X76M46; Emitolon; Heartcin; Inokiten; Justquinon; Luvacor; Neuquinon; Neuquinone; Terekol; Ubidecarenona [Spanish]; Ubidecarenonum [Latin]; Ubiquinone; Ubiquinone 10; Ubiquinone 50; Ubiquinone Q(sub 10); Ubiquinone Q10; Udekinon; Vitamin Q; coenzyme-Q10; ubidecarenone; ubiquinone-10; 303-98-0; ACTIUHUUMQJHFO-UPTCCGCDSA-N; C59H90O4; CCRIS 9016; CHEBI:46245; CoQ10; EINECS 206-147-9; NSC 140665; NSC 140865; Q 199; UNII-EJ27X76M46; Ube-Q
Indication Melanoma [ICD11: 2C30] Phase 2 []
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 863.3 Topological Polar Surface Area 52.6
Heavy Atom Count 63 Rotatable Bond Count 31
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5281915
ChEBI ID
CHEBI:46245
CAS Number
303-98-0
TTD Drug ID
D0OT1A
Formula
C59H90O4
Canonical SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChI
1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
InChIKey
ACTIUHUUMQJHFO-UPTCCGCDSA-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
Hydroquinone DM005670
785
Reduction - Reduction 1 [3]
Ascorbic acid DM004934
54670067
Unclear 2 [3]
Q acid I and Q acid II DM006831 N. A. Unclear 2 [3]
Tocopherol DM006829
14985
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007413 CoQ-10 Hydroquinone Reduction - Reduction Unclear [3]
MR007414 Hydroquinone Tocopherol Unclear Unclear [3]
MR007415 Hydroquinone Ascorbate Unclear Unclear [3]
MR007416 Hydroquinone Q acid I and Q acid II Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
HMG-CoA reductase (HMGCR) DME0224 Homo sapiens
HMDH_HUMAN
1.1.1.34
[1]
Thiopurine methyltransferase (TPMT) DME0014 Homo sapiens
TPMT_HUMAN
2.1.1.67
[2]
References
1 Coenzyme Q10 (CoQ10).
2 Genetic evidence for a multi-subunit complex in the O-methyltransferase steps of coenzyme Q biosynthesis. Biochim Biophys Acta. 2000 Apr 12;1484(2-3):287-97.
3 Coenzyme Q10: absorption, tissue uptake, metabolism and pharmacokinetics

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