Details of the Drug

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]
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Therapeutic Class

Dietary supplement

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.