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

General Information of Drug (ID: DR1319)
Drug Name
Prajmaline
Synonyms
N(sup 4)-Propylajmalinium; N-Propylajmaline; N-Propylajmalinium; Prajmaline; Prajmalium; Prajmalum; (17R,21-alpha)-17,21-Dihydroxy-4-propylajmalanium; 35080-11-6; 75934UD4GJ; Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21-alpha)-; CHEBI:135560; UNII-75934UD4GJ
Indication Atherosclerosis [ICD11: BA80] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 369.5 Topological Polar Surface Area 43.7
Heavy Atom Count 27 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
76959818
ChEBI ID
CHEBI:135560
CAS Number
35080-11-6
Formula
C23H33N2O2+
Canonical SMILES
CCC[N+]12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=CC=CC=C65)C)C4O
InChI
1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19-,20-,21+,22+,23+,25-/m0/s1
InChIKey
UAUHEPXILIZYCU-ALHOSYKFSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Prajmaline M1 PDM007473 N. A. Oxidation - Dehydrogenation of secondary alcohol 1 Human
Prajmaline M2 PDM007474 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Prajmaline M3 PDM007475 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
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 Effects of oral prajmaline bitartrate on exercise test responses in patients with coronary artery disease. Eur J Clin Pharmacol. 1985;28(4):371-4.
2 Pharmacokinetics of N-propylajmaline in relation to polymorphic sparteine oxidation. Klin Wochenschr. 1985 Nov 15;63(22):1180-6.

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