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

General Information of Drug (ID: DR5467)
Drug Name
Anisodine
Synonyms anisodine; 52646-92-1; SCHEMBL474045; AC1N31M8; 2,3-Dihydroxy-2-phenylpropanoic acid 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonane-7alpha-yl ester
Indication Central and peripheral nervous disease [ICD11: 8A04-8E7Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 319.4 Topological Polar Surface Area 82.5
Heavy Atom Count 23 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
11616712
CAS Number
52646-92-1
TTD Drug ID
D05ZJG
Formula
C17H21NO5
Canonical SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@](CO)(C4=CC=CC=C4)O
InChI
InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11?,12-,13+,14-,15+,17-/m1/s1
InChIKey
JEJREKXHLFEVHN-QDXGGTILSA-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
Anisodine Metabolite M2 DM018876 N. A. Unclear - Unclear 1 [2]
Anisodine Metabolite M3 DM016457
101382396
Unclear - Unclear 1 [2]
Anisodine Metabolite M4 DM018862 N. A. Unclear - Unclear 1 [2]
Anisodine Metabolite M5 DM018874 N. A. Unclear - Unclear 1 [2]
Anisodine Metabolite M6 DM015126
110692
Unclear - Unclear 1 [2]
Apoanisodine DM018878 N. A. Unclear - Unclear 1 [2]
Glucuronide conjugatedanisodine DM018881 N. A. Unclear - Unclear 1 [2]
Sulfate conjugatedanisodine DM018880 N. A. Unclear - Unclear 1 [2]
Anisodine Metabolite M1 DM018877 N. A. Unclear - Unclear 2 [2]
Aponoranisodinc DM018879 N. A. Unclear - Unclear 2 [2]
Glucuronide conjugatedhydroxyanisodine DM018866 N. A. Unclear - Unclear 2 [2]
Glucuronide conjugatednoranisodine DM018872 N. A. Unclear - Unclear 2 [2]
HydroxvanisodineN-oxide DM018875 N. A. Unclear - Unclear 2 [2]
Hydroxy-methoxyanisodine DM018864 N. A. Unclear - Unclear 2 [2]
Sulfate conjugaiedhydroxyanisodine DM018865 N. A. Unclear - Unclear 2 [2]
Sulfate conjugatednoranisodine DM018873 N. A. Unclear - Unclear 2 [2]
Trihydroxyanisodine DM018863 N. A. Unclear - Unclear 2 [2]
Anisodine Metabolite M7 DM018871 N. A. Unclear - Unclear 3 [2]
Anisodine Metabolite M8 DM014782 N. A. Unclear - Unclear 3 [2]
Dabigatran Acylglucuronide DM014782
71315159
Unclear - Unclear 3 [2]
Dihydroxy-methoxyanisodine DM018867 N. A. Unclear - Unclear 3 [2]
Hvdroxy-dimethoxyanisodine DM018868 N. A. Unclear - Unclear 3 [2]
Methoxvanisodine DM018869 N. A. Unclear - Unclear 3 [2]
Anisodine Metabolite M9 DM018870 N. A. Unclear - Unclear 4 [2]
⏷ Show the Full List of 24  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011246 Anisodine Anisodine Metabolite M4 Unclear - Unclear Unclear [2]
MR011257 Anisodine Anisodine Metabolite M3 Unclear - Unclear Unclear [2]
MR011260 Anisodine Anisodine Metabolite M5 Unclear - Unclear Unclear [2]
MR011262 Anisodine Anisodine Metabolite M2 Unclear - Unclear Unclear [2]
MR011264 Anisodine Apoanisodine Unclear - Unclear Unclear [2]
MR011266 Anisodine Sulfate conjugatedanisodine Unclear - Unclear Unclear [2]
MR011267 Anisodine Glucuronide conjugatedanisodine Unclear - Unclear Unclear [2]
MR011268 Anisodine Anisodine Metabolite M6 Unclear - Unclear Unclear [2]
MR011263 Anisodine Metabolite M2 Anisodine Metabolite M1 Unclear - Unclear Unclear [2]
MR011258 Anisodine Metabolite M3 Glucuronide conjugatednoranisodine Unclear - Unclear Unclear [2]
MR011259 Anisodine Metabolite M3 Sulfate conjugatednoranisodine Unclear - Unclear Unclear [2]
MR011247 Anisodine Metabolite M4 Trihydroxyanisodine Unclear - Unclear Unclear [2]
MR011248 Anisodine Metabolite M4 Hydroxy-methoxyanisodine Unclear - Unclear Unclear [2]
MR011249 Anisodine Metabolite M4 Sulfate conjugaiedhydroxyanisodine Unclear - Unclear Unclear [2]
MR011250 Anisodine Metabolite M4 Glucuronide conjugatedhydroxyanisodine Unclear - Unclear Unclear [2]
MR011261 Anisodine Metabolite M5 HydroxvanisodineN-oxide Unclear - Unclear Unclear [2]
MR011265 Apoanisodine Aponoranisodinc Unclear - Unclear Unclear [2]
MR011256 Hydroxy-methoxyanisodine Anisodine Metabolite M7 Unclear - Unclear Unclear [2]
MR011251 Trihydroxyanisodine Anisodine Metabolite M8 Unclear - Unclear Unclear [2]
MR011252 Trihydroxyanisodine Dihydroxy-methoxyanisodine Unclear - Unclear Unclear [2]
MR011253 Trihydroxyanisodine Hvdroxy-dimethoxyanisodine Unclear - Unclear Unclear [2]
MR011254 Trihydroxyanisodine Methoxvanisodine Unclear - Unclear Unclear [2]
MR011255 Anisodine Metabolite M8 Anisodine Metabolite M9 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 23 MR(s)
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Structural elucidation of in vivo and in vitro metabolites of anisodine by liquid chromatography-tandem mass spectrometry

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