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

General Information of Drug (ID: DR3311)
Drug Name
CP-101,606
Synonyms
SCHEMBL5888841; CHEMBL321758; AKOS030627610; CP-101581; (1R,2R)-1-(4-Hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidino)-1-propanol; 1-((1R,2R)-Rel-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol
Indication Parkinsonism [ICD11: 8A00] Phase 2 [1]
Cerebral stroke [ICD11: ICD11: 8B11] Investigative [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 327.4 Topological Polar Surface Area 63.9
Heavy Atom Count 24 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
219101
CAS Number
134234-12-1
TTD Drug ID
D04WUA
Formula
C20H25NO3
Canonical SMILES
C[C@@H]([C@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
InChIKey
QEMSVZNTSXPFJA-HNAYVOBHSA-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
CP-101,606 Metabolite M13 DM015620
10132979
Unclear - Unclear 1 [3]
CP-101,606 Metabolite M18 DM019235 N. A. Unclear - Unclear 1 [3]
CP-101,606 Metabolite M19 DM019237 N. A. Unclear - Unclear 1 [3]
CP-101,606 Metabolite M6 DM019236 N. A. Unclear - Unclear 1 [3]
CP-101,606 Metabolite M14 DM016756
154584998
Unclear - Unclear 2 [3]
CP-101,606 Metabolite M7 DM019234 N. A. Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011733 CP-101,606 CP-101,606 Metabolite M13 Unclear - Unclear CYP2D6 [3]
MR011736 CP-101,606 CP-101,606 Metabolite M18 Unclear - Unclear Unclear [3]
MR011737 CP-101,606 CP-101,606 Metabolite M6 Unclear - Unclear Unclear [3]
MR011738 CP-101,606 CP-101,606 Metabolite M19 Unclear - Unclear Unclear [3]
MR011734 CP-101,606 Metabolite M13 CP-101,606 Metabolite M7 Unclear - Unclear Unclear [3]
MR011735 CP-101,606 Metabolite M13 CP-101,606 Metabolite M14 Unclear - Unclear Unclear [3]
⏷ 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
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT00073476) A Study to Evaluate the Efficacy and Safety of CP-101,606 in Subjects With an Acute Stroke. U.S. National Institutes of Health.
2 Current status of neuroprotective agents in the treatment of acute ischemic stroke. Curr Neurol Neurosci Rep. 2001 Jan;1(1):13-8.
3 Metabolism, pharmacokinetics, and excretion of a highly selective N-methyl-D-aspartate receptor antagonist, traxoprodil, in human cytochrome P450 2D6 extensive and poor metabolizers

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