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

General Information of Drug (ID: DR0941)
Drug Name
NCI-C50000
Synonyms
Levomenthol; D-(-)-Menthol; Headache crystals; Hexahydrothymol; I-menthol; Levomentholum; Menthacamphor; Menthol (VAN); Menthol natural; Menthol racemic; Menthomenthol; Peppermint camphor; Racementhol; U.S.P. Menthol; d,l-Menthol; l-(-)-Menthol; l-Menthol; l-Menthol (natural); p-Menthan-3-ol; (+-)-Menthol; (-)-(1R,3R,4S)-Menthol; (-)-Menthyl alcohol; (-)-menthol; (-)-trans-p-Menthan-cis-ol; (1R)-(-)-Menthol; (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol; (1r,2s,5r)-(-)-menthol; (R)-(-)-Menthol; 1-Menthol; 2216-51-5; 89-78-1
Indication Pruritus [ICD11: EC90] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 156.26 Topological Polar Surface Area 20.2
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
16666
ChEBI ID
CHEBI:15409
CAS Number
89-78-1
Formula
C10H20O
Canonical SMILES
CC1CCC(C(C1)O)C(C)C
InChI
1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey
NOOLISFMXDJSKH-KXUCPTDWSA-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
L-MENTHYL-BETA-D-GLUCURONIDE DM002767 N. A. Unclear 1 [3]
p-Menthane-3,-8-diol DM002766
19100
Oxidation - Hydroxylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001717 NCI-C50000 p-Menthane-3,-8-diol Oxidation - Hydroxylation CYP2A6 [3]
MR001718 NCI-C50000 L-MENTHYL-BETA-D-GLUCURONIDE Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT02653703) L-menthol as a Topical Counter-irritant to TRPA1-induced Neurogenic Inflammation and Pain.
2 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
3 NORMAN Suspect List Exchange:Levomenthol

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