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

General Information of Drug (ID: DR0625)
Drug Name
Esmirtazapine
Synonyms
Esmirtazapine; Esmirtazapine [INN]; Org 44-20; Org-44-20; ZINC968310; (+)-Mirtazapine; (S)-1,2,3,4,10,14b-Hexahydro-2-methylpyrazino(2,1-a)pyrido(2,3-c)(2)benzazepine; 4685R51V7M; 61337-87-9; AC1MJ43F; BIDD:PXR0200; CHEMBL1366933; DB06678; EINECS 262-714-0; PDSP1_001530; PDSP2_001514; SCHEMBL49330; UNII-4685R51V7M
Indication Depression [ICD11: 6A71] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 265.35 Topological Polar Surface Area 19.4
Heavy Atom Count 20 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3085218
CAS Number
61337-87-9
Formula
C17H19N3
Canonical SMILES
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
InChI
1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1
InChIKey
RONZAEMNMFQXRA-MRXNPFEDSA-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
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007140 Esmirtazapine Unclear Unclear CYP2D6 [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 ClinicalTrials.gov (NCT01601002) LEPR Polymorphism Weight Gain by Mirtazapine in Late Life Depression.
2 Residual effects of esmirtazapine on actual driving performance: overall findings and an exploratory analysis into the role of CYP2D6 phenotype. Psychopharmacology (Berl). 2011 May;215(2):321-32.

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