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

General Information of Drug (ID: DR1280)
Drug Name
Phentermine
Synonyms
Phentermine [USAN:INN:BAN]; Phenterminum; Phenterminum [INN-Latin]; Phentrol; Phentrol 2; Phentrol 3; Phentrol 4; Phenyl-tert-butylamine; Phenyl-tertiary-butylamine; phentermine; 1,1-Dimethyl-2-phenylethylamine; 122-09-8; 2-Amino-2-methyl-1-phenylpropane; Adipex-P; Duromine; Fastin; Fentermina; Fentermina [INN-Spanish]; Ionamin; Lipopill; Lonamin; Mirapront; Normephentermine; Obermine; Omnibex; 2-Phenyl-tert-butylamine; 2-methyl-1-phenylpropan-2-amine; Linyl; Wilpo; alpha,alpha-Dimethylphenethylamine; alpha-Benzylisopropylamine
Indication Obesity [ICD11: 5B81] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 149.23 Topological Polar Surface Area 26
Heavy Atom Count 11 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
4771
PubChem SID
9642 ; 3222908 ; 4448495 ; 7980294 ; 8152931 ; 10505791 ; 15194700 ; 29223855 ; 43997956 ; 46508515 ; 47207127 ; 48416420 ; 49760715 ; 50004323 ; 50139243 ; 50429715 ; 57322442 ; 92307866 ; 103589701 ; 104101988 ; 104307379 ; 108670465 ; 119523660 ; 125309124 ; 126540999 ; 127734846 ; 134223805 ; 134338007 ; 134339372 ; 134973544 ; 137001247 ; 140204802 ; 144075901 ; 160963539 ; 163138806 ; 164205807 ; 170505704 ; 175266408 ; 176325847 ; 178103843 ; 179095233 ; 184574182 ; 184823557 ; 223787896 ; 226414425 ; 243694279 ; 249924131 ; 252324490
ChEBI ID
ChEBI:8080
CAS Number
122-09-8
TTD Drug ID
D0U0RZ
Formula
C10H15N
Canonical SMILES
CC(C)(CC1=CC=CC=C1)N
InChI
1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
InChIKey
DHHVAGZRUROJKS-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
N-hydroxyphentermine DM001239
161965
Oxidation - N-Hydroxylation 1 [3]
p-hydroxyphentermine DM001241
84139
Oxidation - Hydroxylation 1 [3]
Nitrophentermine DM001240 N. A. Oxidation - Oxidation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003160 Phentermine N-hydroxyphentermine Oxidation - N-Hydroxylation CYP3A4 [3]
MR003161 Phentermine p-hydroxyphentermine Oxidation - Hydroxylation CYP3A4 [3]
MR003159 N-hydroxyphentermine Nitrophentermine Oxidation - Oxidation CYP3A4 [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 Phentermine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA Label of Qsymia. The 2020 official website of the U.S. Food and Drug Administration.
3 Determination of phentermine, N-hydroxyphentermine and mephentermine in urine using dilute and shoot liquid chromatography-tandem mass spectrometry J Chromatogr B Analyt Technol Biomed Life Sci. 2016 Sep 1;1029-1030:22-27. doi: 10.1016/j.jchromb.2016.06.045.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.