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

General Information of Drug (ID: DR5794)
Drug Name
Levallorphan
Synonyms
Levallofano; Levallorphane; Levallorphanum; Levalorfano; Naloxiphan; Levallofano [DCIT]; Levallorphan [INN:BAN]; Levallorphane [INN-French]; Levallorphanum [INN-Latin]; Levalorfano [INN-Spanish]; Lorfan (TN); Ro-1-7700; N-Allyl-3-hydroxymorphinan; L-N-Allyl-3-hydroxymorphinan; Levo-3-hydroxy-N-allyl morphinan; (-)-3-Hydroxy-N-allylmorphinan; 17-Allylmorphinan-3-ol; 17-prop-2-en-1-ylmorphinan-3-ol
Indication Narcotic depression [ICD11: 6A70-6A7Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 283.4 Topological Polar Surface Area 23.5
Heavy Atom Count 21 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
5359371
ChEBI ID
CHEBI:6431
CAS Number
152-02-3
TTD Drug ID
D04QWE
Formula
C19H25NO
Canonical SMILES
C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
InChIKey
OZYUPQUCAUTOBP-QXAKKESOSA-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
3-hydroxymorphinan DM000826
5463854
Unclear - Unclear 1 [2]
Levallorphan Metabolite M7 DM018582 N. A. Unclear - Unclear 1 [2]
Levallorphan Metabolite M8 DM018584 N. A. Unclear - Unclear 1 [2]
Levallorphan Metabolite M10 DM018583 N. A. Unclear - Unclear 2 [2]
Levallorphan Metabolite M11 DM018586 N. A. Unclear - Unclear 2 [2]
Levallorphan Metabolite M9 DM018585 N. A. Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010684 Levallorphan Levallorphan Metabolite M7 Unclear - Unclear CYP3A4 [2]
MR010686 Levallorphan Levallorphan Metabolite M8 Unclear - Unclear CYP3A4 ... [2]
MR010688 Levallorphan Levallorphan Metabolite M4 Unclear - Unclear CYP3A4 ... [2]
MR010689 Levallorphan Metabolite M4 Levallorphan Metabolite M11 Unclear - Unclear CYP3A4 [2]
MR010685 Levallorphan Metabolite M7 Levallorphan Metabolite M10 Unclear - Unclear CYP3A4 [2]
MR010687 Levallorphan Metabolite M8 Levallorphan Metabolite M9 Unclear - Unclear CYP3A4 ... [2]
⏷ Show the Full List of 6 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]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7209).
2 Exploration of catalytic properties of CYP2D6 and CYP3A4 through metabolic studies of levorphanol and levallorphan

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