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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:8067
CAS Number: 134-49-6
UNII: XA501VL3VR
DrugBank ID: DB00830
TTD ID: D0M2MC
VARIDT ID: DR01097

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.