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

General Information of Drug (ID: DR3359)
Drug Name
MEDETOMIDINE
Synonyms .
Indication Pain [ICD11: MG30-MG3Z] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 200.28 Topological Polar Surface Area 28.7
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
68602
ChEBI ID
CHEBI:48552
CAS Number
86347-14-0
TTD Drug ID
D0F2ML
Formula
C13H16N2
Canonical SMILES
CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C
InChI
InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
InChIKey
CUHVIMMYOGQXCV-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
Dehydromedetomidine DM019876 N. A. Unclear - Unclear 1 [2]
Hydroxymedetomidine DM016125
46935896
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012639 Medetomidine Dehydromedetomidine Unclear - Unclear CYP2D [2]
MR012640 Medetomidine Hydroxymedetomidine Unclear - Unclear CYP3A [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D (CYP2D) DMEN826 Bacteroides fragilis Not Available Not Available [2]
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
References
1 Sedative and cardiopulmonary effects of medetomidine hydrochloride and xylazine hydrochloride and their reversal with atipamezole hydrochloride in calves. Am J Vet Res. 2008 Mar;69(3):319-29.
2 Metabolic stability and determination of cytochrome P450 isoenzymes' contribution to the metabolism of medetomidine in dog liver microsomes. Biomed Chromatogr. 2010 Aug;24(8):868-77.

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