Details of the Drug

General Information of Drug (ID: DMBW7VH)

Drug Name

Methyprylon

Synonyms

Dimerin; Methprylon; Methyprolon; Methyprylone; Methyprylonum; Metiprilon; Metiprilona; Metiprilone; Noctan; Nodular; Noludar; Methyprylon [INN]; Methyprylone [INN-French]; Methyprylonum [INN-Latin]; Metiprilona [INN-Spanish]; Noludar (TN); Ro 1-6463; Methyprylon (JAN/INN); 2,4-Dioxo-3,3-diethyl-5-methylpiperidine; 2,4-Dioxy-3,3-diethyl-5-methylpiperidine; 3,3-Diethyl-2,4-dioxo-5-methylpiperidine; 3,3-Diethyl-5-methyl-2,4-piperidinedione; 3,3-Diethyl-5-methylpiperidine-2,4-dione

Indication

Disease Entry	ICD 11	Status	REF
Insomnia	7A00-7A0Z	Approved	[1]
------------------------------------------------------------------------------------

Therapeutic Class

Sedatives and Hypnotics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

183.25

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 6 - 16 hours [2]
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 36.39787 micromolar/kg/day [3]

Chemical Identifiers

Formula: C10H17NO2
IUPAC Name: 3,3-diethyl-5-methylpiperidine-2,4-dione
Canonical SMILES: CCC1(C(=O)C(CNC1=O)C)CC
InChI: InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)
InChIKey: SIDLZWOQUZRBRU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4162
ChEBI ID: CHEBI:31837
CAS Number: 125-64-4
DrugBank ID: DB01107
TTD ID: D05OQJ
INTEDE ID: DR1065

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Antagonist	[4]

------------------------------------------------------------------------------------

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[5]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7238).
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	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
4	DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
5	Drugs and steatohepatitis. Semin Liver Dis. 2002;22(2):185-94.