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

General Information of Drug (ID: DR0294)
Drug Name
Cevimeline hydrochloride
Synonyms
Cevimeline (hydrochloride); Cevimeline,hydrochloride salt; Fks 508; SND 5008; SNK 508; Saligren; Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane), 2'-methyl-, hydrochloride, cis-(+-)-; cis-(+-)-2'-Methylspiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane) hydrochloride; cis-2'-Methylspiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane) hydrochloride; (+-)-cis-2-Methylspiro(1,3-oxathiolan-5,3')quinuclidine hydrochloride; 107220-28-0; 107233-08-9; AC1L3WYG; AF 102B; C10H17NOS.ClH
Indication Sjogren syndrome [ICD11: 4A43] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 235.77 Topological Polar Surface Area 37.8
Heavy Atom Count 14 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
123603
CAS Number
124620-89-9
TTD Drug ID
D0Q4CS
Formula
C10H18ClNOS
Canonical SMILES
CC1OC2(CN3CCC2CC3)CS1.Cl
InChI
1S/C10H17NOS.ClH/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;/h8-9H,2-7H2,1H3;1H/t8-,10-;/m1./s1
InChIKey
SURWTGAXEIEOGY-GHXDPTCOSA-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
Cevimeline cis-sulfoxidation DM001798 N. A. Oxidation - Sulfoxidation 1 [3]
Cevimeline cis-sulfoxide DM001797
18642482
Unclear 1 [3]
Cevimeline glucuronic acid DM001800
444791
Unclear 1 [3]
Cevimeline N-oxide DM001799
71314589
Unclear 1 [3]
Cevimeline trans-sulfoxide DM001796
83898
Oxidation - Sulfoxidation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000609 Cevimeline hydrochloride Cevimeline trans-sulfoxide Oxidation - Sulfoxidation CYP3A4 ... [3]
MR000610 Cevimeline hydrochloride Cevimeline cis-sulfoxide Unclear CYP3A4 [3]
MR000611 Cevimeline hydrochloride Cevimeline cis-sulfoxidation Oxidation - Sulfoxidation CYP2D6 [3]
MR000612 Cevimeline hydrochloride Cevimeline N-oxide Unclear FMO1 [3]
MR000613 Cevimeline hydrochloride Cevimeline glucuronic acid Unclear Unclear [3]
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]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Cevimeline Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Pharmacokinetics and metabolism of the novel muscarinic receptor agonist SNI-2011 in rats and dogs. Arzneimittelforschung. 2003;53(1):26-33.
3 Identification of human drug-metabolizing enzymes involved in the metabolism of SNI-2011. Biol Pharm Bull. 2001 Nov;24(11):1263-6.

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