General Information of Drug (ID: DMDBZMV)

Drug Name
Vitamin B6
Synonyms
Aderoxin; Alestrol; Becilan; Beesix; Benadon; Bonasanit; Godabion; Hexavibex; Hexermin; Hexermine; Hexobion; Nestrex; Paxadon; Pydox; Pyridipca; Pyridox; Spondylonal; Vitaped; Adermin hydrochloride; Adermine hydrochloride; Aderomine hydrochloride; Component of Alestrol; Hexabione hydrochloride; PN HCl; PYRIDOXINE HYDROCHLORIDE; Pyridoxin hydrochloride; Pyridoxine HCl; Pyridoxine chloride; Pyridoxine hydrogen chloride; Pyridoxine monohydrochloride; Pyridoxinium chloride; Pyridoxinum hydrochloricum; Pyridoxol hydrochloride; Rodex TD; AIDS006784; Campoviton 6; Vitamin V6; AIDS-006784; Cernevit-12; Pyridoxine (INN); Pyridoxine Hydrochloride (B6); Pyridoxine hydrochloride[USAN:JAN]; Pyridoxine, hydrochloride; Pyridoxine-HCl Microencapsulated; Pyridoxinum hydrochloricum (Hungarian); Pyridoxol, hydrochloride; Rodex (R); Vitamin B6-hydrochloride; Vitamin V6 (TN); Vitamin-B6 hydrochloride; Hexa-Betalin (R); Hexa-betalin (TN); Pyridoxine hydrochloride (JP15/USP); Tex Six T.R.; PYRIDOXINE HYDROCHLORIDE, U.S.P.; (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate; 2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine; 2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine; 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin; 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin [German]; 2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine; 2-methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine; 2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine; 2-methyl-4,5-dimethylol-pyridin-3-ol; 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride; 3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride; 3-Hydroxy-4,5-dimethylol-.alpha.-picoline hydrochloride; 3-Hydroxy-4,5-dimethylol-alpha-picoline hydrochloride; 4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol; 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride; 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol hydrochloride; 4,5-bis(hydroxymethyl)-2-methylpyridine-3-ol; 4-Deoxypyridoxine 5'-phosphate; 5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride; 5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride; 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride
Indication
Disease Entry ICD 11 Status REF
Vitamin B6 deficiency 5B5D Approved [1]
Pyridoxine-dependent epilepsy N.A. Investigative [2]
Therapeutic Class
Vitamins
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 169.18
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 5.5 h []
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 7.9 mL/min/kg [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 15 - 20 days [4]
Metabolism
The drug is metabolized via the liver []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 39.42505 micromolar/kg/day [5]
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 0.66 L/kg [4]
Water Solubility
The ability of drug to dissolve in water is measured as 222 mg/mL [3]
Chemical Identifiers
Formula
C8H11NO3
IUPAC Name
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Canonical SMILES
CC1=NC=C(C(=C1O)CO)CO
InChI
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKey
LXNHXLLTXMVWPM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1054
ChEBI ID
CHEBI:16709
CAS Number
65-23-6
DrugBank ID
DB00165
TTD ID
D07MUN
INTEDE ID
DR1935
ACDINA ID
D00572
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatic-L-amino-acid decarboxylase (DDC) TTN451K DDC_HUMAN Cofactor [6]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Pyridoxal phosphate phosphatase (PDXP)
Main DME
DE2UNSW PLPP_HUMAN Substrate [7]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [8]
Caspase-8 (CASP8) OTA8TVI8 CASP8_HUMAN Gene/Protein Processing [8]
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A) OTHCDQ22 PRGC1_HUMAN Gene/Protein Processing [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Vitamin B6 deficiency
ICD Disease Classification 5B5D
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aromatic-L-amino-acid decarboxylase (DDC) DTT DDC 7.84E-03 -1.49 -1.01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Stearic acid E00079 5281 Emulsifying agent; Solubilizing agent; Viscosity-controlling agent; lubricant
Magnesium stearate E00208 11177 lubricant
Silicon dioxide E00670 Not Available Anticaking agent; Opacifying agent; Viscosity-controlling agent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Pyridoxine 25 mg tablet 25 mg Oral Tablet Oral
Pyridoxine 50 mg tablet 50 mg Oral Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Pyridoxine-Dependent Epilepsy and Antiquitin Deficiency Resulting in Neonatal-Onset Refractory Seizures. Brain Sci. 2021 Dec 31;12(1):65.
3 BDDCS applied to over 900 drugs
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5 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
6 Functional COMT variant predicts response to high dose pyridoxine in Parkinson's disease. Am J Med Genet B Neuropsychiatr Genet. 2005 Aug 5;137B(1):1-4.
7 Purification and characterization of vitamin B6-phosphate phosphatase from human erythrocytes. J Biol Chem. 1992 Aug 5;267(22):15978-83.
8 The vitamin B6 paradox: Supplementation with high concentrations of pyridoxine leads to decreased vitamin B6 function. Toxicol In Vitro. 2017 Oct;44:206-212. doi: 10.1016/j.tiv.2017.07.009. Epub 2017 Jul 14.
9 A cardiac-specific robotized cellular assay identified families of human ligands as inducers of PGC-1 expression and mitochondrial biogenesis. PLoS One. 2012;7(10):e46753. doi: 10.1371/journal.pone.0046753. Epub 2012 Oct 3.