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

General Information of Drug (ID: DR1798)
Drug Name
R-58735
Synonyms
R 58735; R-58735; SABELUZOLE; Sabeluzole [USAN:BAN:INN]; (+-)-4-(2-Benzothiazolylmethylamino)-alpha-((p-fluorophenoxy)methyl)-1-piperidineethanol; 1-Piperidineethanol, 4-(2-benzothiazolylmethylamino)-a-[(4-fluorophenoxy)methyl]-;1-Piperidineethanol, 4-(2-benzothiazolylmethylamino)-a-[(4-fluorophenoxy)methyl]-; 1-Piperidineethanol, 4-(2-benzothiazolylmethylamino)-alpha-((4-fluorophenoxy)methyl)-, (+-)-; 1-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol; 104153-38-0; 104383-17-7
Indication Cerebral ischaemia [ICD11: 8B1Z] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 415.5 Topological Polar Surface Area 77.1
Heavy Atom Count 29 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
59823
CAS Number
104383-17-7
TTD Drug ID
D00NGN
Formula
C22H26FN3O2S
Canonical SMILES
CN(C1CCN(CC1)CC(COC2=CC=C(C=C2)F)O)C3=NC4=CC=CC=C4S3
InChI
1S/C22H26FN3O2S/c1-25(22-24-20-4-2-3-5-21(20)29-22)17-10-12-26(13-11-17)14-18(27)15-28-19-8-6-16(23)7-9-19/h2-9,17-18,27H,10-15H2,1H3
InChIKey
IGMKTIJBFUMVIN-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
6-hydroxylation of sabeluzole DM007029 N. A. Oxidation - 6-hydroxylation 1 [2]
Unclear DM009999 N. A. Conjugation - Glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007661 R-58735 6-hydroxylation of sabeluzole Oxidation - 6-hydroxylation CYP2D6 [2]
MR007662 R-58735 Unclear Conjugation - Glucuronidation Unclear [2]
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
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000207)
2 Pharmacokinetics of sabeluzole and dextromethorphan oxidation capacity in patients with severe hepatic dysfunction and healthy volunteers. Br J Clin Pharmacol. 2001 Feb;51(2):164-8.

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