Details of the Drug

General Information of Drug (ID: DMR9YL6)

Drug Name

Etilamfetamine

Synonyms

Apetinil; Ethylamphetamine; Etilamfetamina [INN-Spanish]; Etilamfetamine; Etilamfetamine (INN); Etilamfetamine [INN]; Etilamfetaminum [INN-Latin]; Etilamfetaminum [Latin]; Etilanfetamina [Spanish]; N-Ethylamphetamine; N-ethyl-1-phenylpropan-2-amine; 1-Phenyl-2-aethylamino-propan; 1-Phenyl-2-aethylamino-propan [German]; 1-Phenyl-2-ethylaminopropane; 457-87-4; BRN 2357701; Benzeneethanamine, N-ethyl-.alpha.-methyl-; DEA No. 1475; N-Ethyl-alpha-methylphenethylamine; alpha-Phenyl-beta-ethylaminopropane

Indication

Disease Entry	ICD 11	Status	REF
Pulmonary hypertension	BB01	Investigative	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

163.26

Topological Polar Surface Area (xlogp)

2.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C11H17N
IUPAC Name: N-ethyl-1-phenylpropan-2-amine
Canonical SMILES: CCNC(C)CC1=CC=CC=C1
InChI: YAGBSNMZQKEFCO-UHFFFAOYSA-N
InChIKey: 1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3

Cross-matching ID

PubChem CID: 9982
ChEBI ID: CHEBI:134796
CAS Number: 457-87-4
DrugBank ID: DB13285
INTEDE ID: DR0664

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The influence of diuretics on the excretion and metabolism of doping agents. III. Etilamfetamine. Arzneimittelforschung. 1986 Sep;36(9):1413-6.
2	Involvement of CYP2D6 in the in vitro metabolism of amphetamine, two N-alkylamphetamines and their 4-methoxylated derivatives. Xenobiotica. 1999 Jul;29(7):719-32.
3	Inhibitory effects of anticancer drugs on dextromethorphan-O-demethylase activity in human liver microsomes. Cancer Chemother Pharmacol. 1993;32(6):491-5.
4	Effect of genetic polymorphism on the metabolism of endogenous neuroactive substances, progesterone and p-tyramine, catalyzed by CYP2D6. Brain Res Mol Brain Res. 2004 Oct 22;129(1-2):117-23.
5	CYP2D6 polymorphisms and tamoxifen metabolism: clinical relevance. Curr Oncol Rep. 2010 Jan;12(1):7-15.
6	Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
7	Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
8	Inhibition of cytochrome P450 2D6: structure-activity studies using a series of quinidine and quinine analogues. Chem Res Toxicol. 2003 Apr;16(4):450-9.
9	Effects of propofol on human hepatic microsomal cytochrome P450 activities. Xenobiotica. 1998 Sep;28(9):845-53.
10	Pharmacogenetics of schizophrenia. Am J Med Genet. 2000 Spring;97(1):98-106.
11	Roles of CYP2A6 and CYP2B6 in nicotine C-oxidation by human liver microsomes. Arch Toxicol. 1999 Mar;73(2):65-70.
12	Structure-activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab Rev. 2002 Feb-May;34(1-2):69-82.