Details of the Drug

General Information of Drug (ID: DMXYTN9)

Drug Name
Phenmetrazine
Synonyms
Cafilon; Defenmetrazin; Dexphenmetrazine; Fenmetrazin; Fenmetrazina; Oxazimedrine; Phenmetraline; Phenmetrazin; Phenmetrazinum; Preludin hydrochloride; A 66; Psychamine A 66; Defenmetrazin (TN); Fenmetrazin (TN); Fenmetrazina [INN-Spanish]; Oxazimedrine (TN); Phenmetraline (TN); Phenmetrazine [INN:BAN]; Phenmetrazinum [INN-Latin]; Dl-2-Phenyl-3-methyltetrahydro-1,4-oxazine; 2-Fenyl-3-methylmorfolin; 2-Fenyl-3-methylmorfolin [Czech]; 2-Phenyl-3-methylmorpholine; 3-Methyl-2-phenylmorpholine; 3-Methyl-2-phenyltetrahydro-2H-1,4-oxazine
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Approved [1]
Therapeutic Class
Appetite Depressants
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 177.24
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Elimination
19% of drug is excreted from urine in the unchanged form [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 16 - 31 hours [3]
Metabolism
The drug is metabolized via the hepatic []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 6.0447 micromolar/kg/day [4]
Water Solubility
The ability of drug to dissolve in water is measured as 2.5 mg/mL [2]
Chemical Identifiers
Formula
C11H15NO
IUPAC Name
3-methyl-2-phenylmorpholine
Canonical SMILES
CC1C(OCCN1)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey
OOBHFESNSZDWIU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4762
ChEBI ID
CHEMBL8067
CAS Number
134-49-6
UNII
XA501VL3VR
DrugBank ID
DB00830
TTD ID
D0M2MC
VARIDT ID
DR01097
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine transporter (DAT) TTVBI8W SC6A3_HUMAN Inhibitor [5]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Obesity
ICD Disease Classification 5B81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine transporter (DAT) DTT SLC6A3 1.08E-03 -3.08 -1.99
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drug information of Phenmetrazine, 2008. eduDrugs.
2 BDDCS applied to over 900 drugs
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
5 Interaction of the anorectic medication, phendimetrazine, and its metabolites with monoamine transporters in rat brain. Eur J Pharmacol. 2002 Jun 28;447(1):51-7.