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

General Information of Drug (ID: DR5954)
Drug Name
Pachycarpine
Synonyms (+)-sparteine
Indication Postpartum haemorrhage [ICD11: JA43] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 234.38 Topological Polar Surface Area 6.5
Heavy Atom Count 17 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
7014
CAS Number
492-08-0
TTD Drug ID
D0L0MK
Formula
C15H26N2
Canonical SMILES
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4
InChI
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1
InChIKey
SLRCCWJSBJZJBV-TUVASFSCSA-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
(+)-(4S)-Hydroxysparteine DM015242
183675
Oxidation - Hydroxylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011136 Pachycarpine (+)-(4S)-Hydroxysparteine Oxidation - Hydroxylation 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]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Polymorphic cytochrome P450 2D6: humanized mouse model and endogenous substrates
3 Regioselectivity and stereoselectivity of the metabolism of the chiral quinolizidine alkaloids sparteine and pachycarpine in the rat

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