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

General Information of Drug (ID: DR3388)
Drug Name
Fenfluramine
Synonyms
Acino; Adifax; Adipomin; Fenfluramina; Fenfluraminum; Isomeride; Obedrex; Pesos; Ponderex; Rotondin; Dexfenfluramina [Spanish]; Dexfenfluraminum [Latin]; Fenfluramina [DCIT]; Fenfluramine hydrochloride; Levofenfluramine [INN]; Ponderax PA; S 768; D-Fenfluramine; Dexfenfluramine [INN:BAN]; Fenfluramine (INN); Fenfluramine [INN:BAN]; Fenfluraminum [INN-Latin]; Ponderax (TN); Fenfluramine, (+-)-Isomer; N-Ethyl-alpha-methyl-3-trifluoromethylphenethylamine; D-N-Ethyl-alpha-methyl-m-trifluoromethylphenethylamine; N-Ethyl-alpha-methyl-3-(trifluoromethyl)benzeneethanamine; N-Ethyl-alpha-methyl-m-(trifluoromethyl)phenethylamine; N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine; Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-(9CI); Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-, (S)-(9CI);Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-, (+-)-(9CI); (+)-Fenfluramine; (+-)-Fenfluramine; (+/-)-Fenfluramine hydrochloride; (S)-Fenfluramine; 1-(m-trifluoromethyl-phenyl)-2-ethylaminopropane; 1-(meta-Trifluoromethyl-phenyl)-2 ethylaminopropane; 2-Ethylamino-1-(3-trifluoromethylphenyl)propane; 3-(Trifluoromethyl)-N-ethyl-alpha-methylphenethylamine
Indication Dravet syndrome [ICD11: 8A61-8A6Z] Phase 3 [1]
Lennox-Gastaut syndrome [ICD11: ICD11: 8A62] Phase 3 [2]
Obesity [ICD11: ICD11: 5B80-5B81] Withdrawn from market [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 231.26 Topological Polar Surface Area 12
Heavy Atom Count 16 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
3337
ChEBI ID
CHEBI:5000
CAS Number
458-24-2
TTD Drug ID
D09WNK
Formula
C12H16F3N
Canonical SMILES
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
InChIKey
DBGIVFWFUFKIQN-UHFFFAOYSA-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
M-trifluoromethylhippuric acid DM006589
2777432
Unclear - Unclear 1 [5]
Norfenfluramine DM014970
15897
Unclear - Unclear 1 [5]
Ketone DM018926 N. A. Unclear - Unclear 2 [5]
Hydroxyketone DM019557 N. A. Unclear - Unclear 3 [5]
Trifluorobenzoic acid DM019558 N. A. Unclear - Unclear 4 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012196 Fenfluramine Norfenfluramine Unclear - Unclear CYP3A5 ... [5]
MR012200 Fenfluramine Trifluorohippuric acid Unclear - Unclear Unclear [5]
MR012197 Norfenfluramine Ketone Unclear - Unclear Unclear [5]
MR012198 Ketone Hydroxyketone Unclear - Unclear Unclear [5]
MR012199 Hydroxyketone Trifluorobenzoic acid Unclear - Unclear Unclear [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[4]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[4]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[4]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[4]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[4]
⏷ Show the Full List of 7  DME(s)
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 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: 4613).
4 In vitro evaluation of fenfluramine and norfenfluramine as victims of drug interactions
5 U. S. FDA Label -Fenfluramine

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