General Information of Drug (ID: DMO2K0J)

Drug Name
Pyridoxal Phosphate
Synonyms
Pyridoxal phosphate; pyridoxal phosphate; Codecarboxylase; pyridoxal 5-phosphate; 54-47-7; pyridoxal 5'-phosphate; Pyridoxal P; Pyromijin; Hairoxal; Vitazechs; Biosechs; Pyridoxal-5'-phosphate; Hiadelon; Pidopidon; Himitan; Phosphopyridoxal; Sechvitan; Pydoxal; Piodel; Pyridoxyl phosphate; Apolon B6; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate; HI-Pyridoxin; Pal-P; PYRIDOXAL-5-PHOSPHATE; pyridoxal-P; Phosphopyridoxal coenzyme; Vitahexin P; Hexermin P; Coenzyme B6; Pyridoxal monophosphate; Pyridoxaldehyde phosphate; Apolon B(sub 6); Biosechs; PLP; Pyrido; Phosphoridoxal coenzyme; Pyridoxal phosphate [JAN]; SRI 2392; VITAMIN B6 COMPLEX; Vitamin B6 phosphate; Hexermin-P; Pyridoxal 5-monophosphoric acid ester; Pyridoxal 5-phosphate; Pyridoxal phosphate (6CI); Pyridoxal-5P; Pyridoxal-P; Sechvitan, Vitahexin P; Vitahexin-P; Vitamin B6 phosphate (ester); Pyridoxal 5'-phosphate; Pyridoxal 5'-phosphate hydrate; Pyridoxal-5-Phosphate Hydrate; Pyridoxal-5-monophosphate; P-5'-P; Pyridoxal 5'-(dihydrogen phosphate); Pyridoxal 5'-phosphate monohydrate, vitamin B6; Pyridoxal 5'-phosphate monohydrate-Vitamin B6; Pyridoxal phosphate treated beta-lactoglobulin from bovine whey; Pyridoxal, 5-(dihydrogen phosphate); Pyridoxal, 5-(dihydrogenphosphate); Pyridoxal, 5-(dihydrogen phosphate) (8CI); Phosphoric acid mono-(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl) ester; Isonicotinaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, 5-(dihydrogen phosphate); (4-Formyl-5-hydroxy-6-methyl(3-pyridyl))methyl dihydrogen phosphate; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate; 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine-5-calcium phosphate; 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine-5-calcium phosphate trihydrate; 2-Methyl-3-hydroxy-4-formyl-5-pyridylmethylphosphoric acid; 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde; 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate; 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde; 4-Formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid; 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-(9CI); Lepirudine
Indication
Disease Entry ICD 11 Status REF
Malnutrition 5B50-5B71 Approved [1]
Therapeutic Class
Dietary supplement
Affected Organisms
Humans and other mammals
ATC Code
A11HA06: Pyridoxal Phosphate
A11HA: Other plain vitamin preparations
A11H: OTHER PLAIN VITAMIN PREPARATIONS
A11: VITAMINS
A: ALIMENTARY TRACT AND METABOLISM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 247.14
Logarithm of the Partition Coefficient (xlogp) -1.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C8H10NO6P
IUPAC Name
(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Canonical SMILES
CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O
InChI
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKey
NGVDGCNFYWLIFO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1051
ChEBI ID
CHEBI:18405
CAS Number
54-47-7
UNII
F06SGE49M6
DrugBank ID
DB00114
TTD ID
D06JGH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [2]
GABA transaminase (ABAT) TTT2LD9 GABT_HUMAN Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Alpha-(1,6)-fucosyltransferase (FUT8) OTJJCVG1 FUT8_HUMAN Gene/Protein Processing [4]
Pyridoxal kinase (PDXK) OT40AJ5J PDXK_HUMAN Regulation of Drug Effects [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: 5249).
2 New antithrombotic drugs (excluding plasminogen activators. Arch Mal Coeur Vaiss. 2001 Nov;94(11 Suppl):1225-32.
3 DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
4 Chemical modifications of alpha1,6-fucosyltransferase define amino acid residues of catalytic importance. Biochimie. 2003 Mar-Apr;85(3-4):303-10. doi: 10.1016/s0300-9084(03)00074-9.
5 Anticonvulsant characteristics of pyridoxyl-gamma-aminobutyrate, PL-GABA. Neuropharmacology. 2008 May;54(6):954-64. doi: 10.1016/j.neuropharm.2008.02.001. Epub 2008 Feb 10.