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

General Information of Drug (ID: DR5491)
Drug Name
N-0923
Synonyms
ent-Rotigotine; 92206-54-7; N-0437; 6-(Propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol; 112835-48-0; 6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol; 1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-; 1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-; 2-(N-n-Propyl-N-2-thienylethylamino)-5-hydroxytetralin; PubChem16422; AC1Q7ALS; rotigotine transdermal patch; AC1L1N7C; SCHEMBL50425; CHEMBL104383; CTK8E7910
Indication Parkinsonism [ICD11: 8A00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 315.5 Topological Polar Surface Area 51.7
Heavy Atom Count 22 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
57537
CAS Number
92206-54-7
TTD Drug ID
D09OQV
Formula
C19H25NOS
Canonical SMILES
CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O
InChI
InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
InChIKey
KFQYTPMOWPVWEJ-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
N-0923 Metabolite M331 DM016089
44370173
Unclear - Unclear 1 [2]
N-despropyl-rotigotine DM015902
15107528
Unclear - Unclear 1 [2]
N-desthienylethyl-rotigotine DM015666
10375676
Unclear - Unclear 1 [2]
Neupro Metabolite M5 DM016424
91995539
Unclear - Unclear 1 [2]
Rotigotine glucuronide DM016336
71752119
Unclear - Unclear 1 [2]
N-0923 Metabolite M14 DM015806
12381609
Unclear - Unclear 2 [2]
N-0923 Metabolite M5 DM018528 N. A. Unclear - Unclear 2 [2]
N-0923 Metabolite M6a DM018531 N. A. Unclear - Unclear 2 [2]
N-0923 Metabolite M6b DM018532 N. A. Unclear - Unclear 2 [2]
N-0923 Metabolite M6c DM018527 N. A. Unclear - Unclear 2 [2]
N-0923 Metabolite M7 DM018533 N. A. Unclear - Unclear 2 [2]
N-0923 Metabolite M8 DM018534 N. A. Unclear - Unclear 2 [2]
N-Despropyl rotigotine glucuronide DM016796
155928961
Unclear - Unclear 2 [2]
N-0923 Metabolite M4a DM018529 N. A. Unclear - Unclear 3 [2]
N-0923 Metabolite M4b DM018530 N. A. Unclear - Unclear 3 [2]
⏷ Show the Full List of 15  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010597 N-0923 N-0923 Metabolite M4 Unclear - Unclear Unclear [2]
MR010603 N-0923 N-0923 Metabolite M331 Unclear - Unclear Unclear [2]
MR010609 N-0923 N-0923 Metabolite M12 Unclear - Unclear Unclear [2]
MR010611 N-0923 N-0923 Metabolite M9 Unclear - Unclear Unclear [2]
MR010612 N-0923 N-0923 Metabolite M10 Unclear - Unclear Unclear [2]
MR010610 N-0923 Metabolite M12 N-0923 Metabolite M13 Unclear - Unclear Unclear [2]
MR010604 N-0923 Metabolite M331 N-0923 Metabolite M14 Unclear - Unclear Unclear [2]
MR010605 N-0923 Metabolite M331 N-0923 Metabolite M6a Unclear - Unclear Unclear [2]
MR010606 N-0923 Metabolite M331 N-0923 Metabolite M6b Unclear - Unclear Unclear [2]
MR010607 N-0923 Metabolite M331 N-0923 Metabolite M7 Unclear - Unclear Unclear [2]
MR010608 N-0923 Metabolite M331 N-0923 Metabolite M8 Unclear - Unclear Unclear [2]
MR010598 N-0923 Metabolite M4 N-0923 Metabolite M14 Unclear - Unclear Unclear [2]
MR010599 N-0923 Metabolite M4 N-0923 Metabolite M6c Unclear - Unclear Unclear [2]
MR010600 N-0923 Metabolite M4 N-0923 Metabolite M5 Unclear - Unclear Unclear [2]
MR010601 N-0923 Metabolite M14 N-0923 Metabolite M4a Unclear - Unclear Unclear [2]
MR010602 N-0923 Metabolite M14 N-0923 Metabolite M4b Unclear - Unclear Unclear [2]
⏷ Show the Full List of 16 MR(s)
References
1 2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.
2 Determination of the dopamine D2 agonist N-0923 and its major metabolites in perfused rat livers by HPLC-UV-atmospheric pressure ionization mass spectrometry

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