Details of the Drug

General Information of Drug (ID: DMIRMVB)

Drug Name

Methadyl Acetate

Synonyms

ALPHACETYLMETHADOL; Acemethadone; Acetilmetadol; Acetylmethadol; Acetylmethadolum; Amidolacetate; Levamethadyl; Acetilmetadol [INN-Spanish]; Acetylmethadol (INN); Acetylmethadolum [INN-Latin]; Methadyl acetate (USAN); Methadyl acetate [USAN:BAN]; N-LAMM; Race-Acetylmethadol; [6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate; Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester); Benzeneethanol, .beta.-[2-(dimethylamino)propyl]-.alpha.-ethyl-.beta.-phenyl-, acetate; (R,S)-4-Dimethylamino-1-ethyl-2,2-diphenylpentyl acetat; 1-Ethyl-4-dimethylamino-2,2-diphenylpentylacetat; 3-Acetoxy-6-dimethylamino-4,4-diphenylheptane; 4-(Dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate; 6-(Dimethylamino)-4,4-Diphenyl-3-Heptanol Acetate

Indication

Disease Entry	ICD 11	Status	REF
Opioid dependence	6C43.2Z	Approved	[1]
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Therapeutic Class

Narcotics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

353.5

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C23H31NO2
IUPAC Name: [6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
Canonical SMILES: CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3
InChIKey: XBMIVRRWGCYBTQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10517
ChEBI ID: CHEBI:135491
CAS Number: 509-74-0
DrugBank ID: DB01433
TTD ID: D0GR0T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Agonist	[2]

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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

Opioid dependence

ICD Disease Classification

6C43.2Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 020315.
2	Acetylmethadol metabolites influence opiate receptors and adenylate cyclase in amygdala. Eur J Pharmacol. 1981 Jul 10;72(4):343-9.