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

General Information of Drug (ID: DR0054)
Drug Name
Ajmaline
Synonyms
Ajmalin; Ajmaline; Ajmaline [JAN]; Aritmina; Cardiorythmine; Cartagine; Gilurytmal; Ignazin; Merabitol; Raugalline; Rauwolfin; Rauwolfine; Rhytmaton; Ritmos; Rytmalin; Siddiqui; Tachmalin; Tajmalin; Takhmalin; Takycor; ZINC898188; (+)-Ajmaline; (17R,21-alpha)-Ajmalan-17,21-diol; (17R,21alpha)-Ajmalan-17,21-diol; 1PON08459R; AI3-62668; Ajmalan-17,21-diol; Ajmalan-17,21-diol, (17R,21a)-; Ajmalan-17,21-diol, (17R,21alpha)-, compound with methanol (1:1); EINECS 224-439-4; NSC 15627; NSC 628054; UNII-1PON08459R
Indication Atrial fibrillation [ICD11: BC81] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 326.4 Topological Polar Surface Area 46.9
Heavy Atom Count 24 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
6100671
CAS Number
4360-12-7
TTD Drug ID
D02GUG
Formula
C20H26N2O2
Canonical SMILES
CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
InChI
1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11?,14?,15?,16?,17?,18-,19?,20?/m1/s1
InChIKey
CJDRUOGAGYHKKD-GNTWRGKJSA-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
12-Hydroxyajmaline DM005611
102271366
Unclear 1 [3]
17,21-diketoajmaline-N-oxide DM005617 N. A. Unclear 1 [3]
21-dihydroajmaline DM005618
101623776
Unclear 1 [3]
Ajmaline-N-oxide DM005615
101623775
Unclear 1 [3]
Dihydroxyajmaline DM005612 N. A. Unclear 1 [3]
Ketoajmaline-N-oxide DM005616 N. A. Unclear 1 [3]
Methoxyajmaline DM005613
129734575
Unclear 1 [3]
Methoxyhydroxyajmaline DM005614
129734570
Unclear 1 [3]
Norajmaline DM005619
24893138
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005984 Ajmaline 12-Hydroxyajmaline Unclear Unclear [3]
MR005985 Ajmaline Dihydroxyajmaline Unclear Unclear [3]
MR005986 Ajmaline Methoxyajmaline Unclear Unclear [3]
MR005987 Ajmaline Methoxyhydroxyajmaline Unclear Unclear [3]
MR005988 Ajmaline Ajmaline-N-oxide Unclear Unclear [3]
MR005989 Ajmaline Ketoajmaline-N-oxide Unclear Unclear [3]
MR005990 Ajmaline 17,21-diketoajmaline-N-oxide Unclear Unclear [3]
MR005991 Ajmaline 21-dihydroajmaline Unclear Unclear [3]
MR005992 Ajmaline Norajmaline Unclear Unclear [3]
⏷ Show the Full List of 9 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
[2]
References
1 ClinicalTrials.gov (NCT00702117) Ajmaline Utilization in the Diagnosis and Treatment of Cardiac Arrhythmias.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Metabolic disposition of ajmaline

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