Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1935)
Drug Name
Vitamin B6
Synonyms
Pyridipca; Pyridox; Pyridoxin hydrochloride; Pyridoxine HCl; Pyridoxine chloride; Pyridoxinium chloride; Pyridoxol hydrochloride; Pyridoxol, hydrochloride; Rodex (R); Spondylonal; Adermine hydrochloride; Aderomine hydrochloride; Aderoxin; Aderoxine; Alestrol; Becilan; Beesix; Benadon; Bendectin; Bonasanit; Campoviton 6; Godabion; Hexa-Betalin; Hexa-Betalin (R); Hexabetalin; Hexabione hydrochloride; Hexavibex; Hexermin; Hexobion; PN HCl; PYRIDOXINE HYDROCHLORIDE; Paxadon; vitamin B6; 58-56-0; Pydox
Indication Functional nausea/vomiting [ICD11: DD90] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 205.64 Topological Polar Surface Area 73.6
Heavy Atom Count 13 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
6019
PubChem SID
544865 ; 3135294 ; 3309045 ; 7849240 ; 8147907 ; 8153748 ; 10321864 ; 10528331 ; 11528395 ; 15220115 ; 24871530 ; 24898493 ; 24898752 ; 24898966 ; 24899059 ; 25621328 ; 26757736 ; 29225033 ; 48422908 ; 50125690 ; 51085174 ; 56463103 ; 57323120 ; 79043646 ; 85089058 ; 85089059 ; 85089060 ; 87574736 ; 89180788 ; 92125552 ; 92711312 ; 103770739 ; 103825833 ; 103914344 ; 104310887 ; 117452109 ; 124509161 ; 125353713 ; 126630993 ; 126657431 ; 127336464 ; 127336465 ; 134971801 ; 137018621 ; 144212793 ; 152031098 ; 152159667 ; 162090646 ; 162173197 ; 169158029
ChEBI ID
ChEBI:16709
CAS Number
65-23-6
TTD Drug ID
D07MUN
Formula
C8H12ClNO3
Canonical SMILES
CC1=NC=C(C(=C1O)CO)CO.Cl
InChI
1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
InChIKey
ZUFQODAHGAHPFQ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
4-pyridoxic acid DM005829
6723
Unclear 1 [3]
Pyridoxal 5-phosphate DM002521
1051
Conjugation - Phosphorylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006228 Vitamin B6 Pyridoxal 5'-phosphate Conjugation - Phosphorylation PDXP [2]
MR006229 Vitamin B6 4-pyridoxic acid Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Pyridoxal phosphate phosphatase (PDXP) DME0585 Homo sapiens
PLPP_HUMAN
3.1.3.74
[2]
References
1 ClinicalTrials.gov (NCT00763633) B6 Treatment for Nausea and Vomiting in Pregnancy.
2 Purification and characterization of vitamin B6-phosphate phosphatase from human erythrocytes. J Biol Chem. 1992 Aug 5;267(22):15978-83.
3 DrugBank(Pharmacology-Metabolism): Vitamin B6

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