Details of the Drug

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], [2]

Therapeutic Class

Vitamins

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

169.18

Topological Polar Surface Area (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 [3]
BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [4]
Clearance: The drug present in the plasma can be removed from the body at the rate of 7.9 mL/min/kg [5]
Half-life: The concentration or amount of drug in body reduced by one-half in 15 - 20 days [5]
Metabolism: The drug is metabolized via the liver [3]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 39.42505 micromolar/kg/day [6]
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 [5]
Water Solubility: The ability of drug to dissolve in water is measured as 222 mg/mL [4]

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

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	[7]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Pyridoxal phosphate phosphatase (PDXP)_{Main DME}	DE2UNSW	PLPP_HUMAN	Substrate	[8]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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
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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	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 010598.
3	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
4	BDDCS applied to over 900 drugs
5	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
6	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
7	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.
8	Purification and characterization of vitamin B6-phosphate phosphatase from human erythrocytes. J Biol Chem. 1992 Aug 5;267(22):15978-83.
9	Catechol-O-methyltransferase inhibitors in the management of Parkinson's disease. Semin Neurol. 2001;21(1):15-22.
10	The aromatic-L-amino acid decarboxylase inhibitor carbidopa is selectively cytotoxic to human pulmonary carcinoid and small cell lung carcinoma cells. Clin Cancer Res. 2000 Nov;6(11):4365-72.
11	UCSF report
12	Clinical pipeline report, company report or official report of Voyager Therapeutics.
13	Clinical pipeline report, company report or official report of PTC Therapeutics.
14	Clinical pipeline report, company report or official report of Oxford BioMedica.
15	Clinical pipeline report, company report or official report of Oxford BioMedica.
16	Activation of an adrenergic pro-drug through sequential stereoselective action of tandem target enzymes. Biochem Biophys Res Commun. 1992 Nov 30;189(1):33-9.
17	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. (Target id: 1271).