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
Affected Organisms
Humans and other mammals
ATC Code
N05CE02: Methyprylon
N05CE: Piperidinedione derivatives
N05C: HYPNOTICS AND SEDATIVES
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
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) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
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
CHEMBL31837
CAS Number
125-64-4
UNII
CUT48I42ON
DrugBank ID
DB01107
TTD ID
D05OQJ
INTEDE ID
DR1065
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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) 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.