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

General Information of Drug (ID: DR2736)
Drug Name
Enalaprilat
Synonyms
Extract of ginger root; Ginger extract; Ginger root extract; Ginger, ext; LS-3194; Zingiber officinale extract; Zingiber officinale root extract; CCRIS 7641; EINECS 283-634-2; FEMA No. 2520; FEMA No. 2521; FEMA No. 2523; Ginger extract (Zingiber officinale); ginger, extract (zingiber officinale rosc.)
Indication Essential hypertension [ICD11: BA00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 568.8 Topological Polar Surface Area 93.1
Heavy Atom Count 41 Rotatable Bond Count 19
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
6850776
CAS Number
84696-15-1
Formula
C35H52O6
Canonical SMILES
CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC.CCCCCC(C)CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
1S/C18H28O3.C17H24O3/c1-4-5-6-7-14(2)12-16(19)10-8-15-9-11-17(20)18(13-15)21-3;1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h9,11,13-14,20H,4-8,10,12H2,1-3H3;7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b;8-7+
InChIKey
QCVRFSPGUWEKFC-ILHSMLOTSA-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
Enalaprilat M1 PDM007699
9860462
Reduction - Reduction of carbonyl 1 Human
Enalaprilat M2 PDM007700 N. A. Conjugation - Aromatic OH-glucuronidation 1 Human
Enalaprilat M3 PDM007701
94378
Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Enalaprilat M4 PDM007702 N. A. Reduction - 4'-Dehydroxylation of substituted benzene 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Dipeptidase (pepV) DME1002 Lactococcus lactis
Q84BU9_LACLH
3.4.13.-
[2]
References
1 Enalaprilat was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Characterization and kinetic analysis of enzyme-substrate recognition by three recombinant lactococcal PepVs. Arch Biochem Biophys. 2006 Oct 15;454(2):137-45.

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