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
ATC Code
A08AA06: Etilamfetamine
A08AA: Centrally acting antiobesity products
A08A: ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08: ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A: ALIMENTARY TRACT AND METABOLISM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 163.26
Logarithm of the Partition Coefficient (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
InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKey
YAGBSNMZQKEFCO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9982
ChEBI ID
CHEMBL134796
CAS Number
457-87-4
UNII
022YON1XMX
DrugBank ID
DB13285
INTEDE ID
DR0664
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.