Details of the Drug

General Information of Drug (ID: DMPSB8F)

Drug Name
MEPTAZINOL
Synonyms
MEPTAZINOL HYDROCHLORIDE; 59263-76-2; Meptazinol HCl; Meptazinol (hydrochloride); 3-(3-Ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol hydrochloride; Meptazinol hydrochloride [USAN]; EINECS 261-683-0; WY-22811 hydrochloride; IL-22811 hydrochloride; WY 22811; IL 22811; 3-(3-ethyl-1-methylazepan-3-yl)phenol hydrochloride; m-(3-Ethyl-1-methyl-hexahydro-1H-azepin-3-yl)phenol hydrochloride; m-(3-Ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol hydrochloride; Phenol, m-(3-ethyl-1-methyl-hexahydro-1H-azepin-3-yl)-, hydrochloride
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Approved [1]
ATC Code
N02AX05: MEPTAZINOL
N02AX: Other opioids
N02A: OPIOIDS
N02: ANALGESICS
N: NERVOUS SYSTEM
N02AX05: MEPTAZINOL
N02AX: Other opioids
N02A: OPIOIDS
N02: ANALGESICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 233.35
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 28 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.7 hours [2]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 63.525 micromolar/kg/day [3]
Unbound Fraction
The unbound fraction of drug in plasma is 0.73% [2]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 3.3 L/kg [2]
Chemical Identifiers
Formula
C15H23NO
IUPAC Name
3-(3-ethyl-1-methylazepan-3-yl)phenol
Canonical SMILES
CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3
InChIKey
JLICHNCFTLFZJN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
41049
ChEBI ID
CHEMBL314437
CAS Number
54340-58-8
UNII
18Y7S5JKZD
DrugBank ID
DB13478
TTD ID
D0S5YC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
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 Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36.