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

General Information of Drug (ID: DR1373)
Drug Name
Pyridoxine-P
Synonyms
Pyridoxine 5-phosphate; Pyridoxine phosphate; Pyridoxol 5'-phosphate; Pyridoxol 5-phosphate; Pyridoxyl-5-phosphate; RG20W8WYLS; pyridoxine-5'-phosphate; pyridoxine-5P; PYRIDOXINE 5'-PHOSPHATE; pyridoxine-P; 447-05-2; 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate; BRN 0233737; EINECS 207-179-6; NSC 83119; Pyridoxol, 5-(dihydrogen phosphate); UNII-RG20W8WYLS; [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 249.16 Topological Polar Surface Area 120
Heavy Atom Count 16 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
1055
PubChem SID
3900 ; 121364 ; 819327 ; 820453 ; 7632932 ; 7890125 ; 8144282 ; 8150950 ; 15196680 ; 24439408 ; 46505900 ; 50035347 ; 56394744 ; 56436477 ; 57320702 ; 77059057 ; 81059217 ; 81062237 ; 81063099 ; 92093079 ; 99226969 ; 103126206 ; 103771794 ; 104296633 ; 117626978 ; 125823533 ; 126523960 ; 129582682 ; 134975151 ; 136023443 ; 137102232 ; 144220181 ; 152255593 ; 160657327 ; 160843443 ; 160965416 ; 170467253 ; 198948385 ; 226428201
ChEBI ID
CHEBI:28803
CAS Number
447-05-2
TTD Drug ID
D0B8JD
Formula
C8H12NO6P
Canonical SMILES
CC1=NC=C(C(=C1O)CO)COP(=O)(O)O
InChI
1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
InChIKey
WHOMFKWHIQZTHY-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
Pyridoxal 5-phosphate DM006998
644168
Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007623 Pyridoxine-P Pyridoxal 5-phosphate Unclear PNPO [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Pyridoxamine-phosphate oxidase (PNPO) DME0209 Homo sapiens
PNPO_HUMAN
1.4.3.5
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Pyridoxamine-phosphate oxidase (PNPO) DME0209 Km = 0.00618 microM
PNPO_HUMAN
[3]
References
1 How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Pyridoxine 5'-phosphate oxidase is a novel therapeutic target and regulated by the TGF-beta signalling pathway in epithelial ovarian cancer. Cell Death Dis. 2017 Dec 13;8(12):3214.
3 Inactive mutants of human pyridoxine 5'-phosphate oxidase: a possible role for a noncatalytic pyridoxal 5'-phosphate tight binding site. FEBS Open Bio. 2016 Mar 22;6(5):398-408.
4 Prognostic Implication and Oncogenic Role of PNPO in Pan-Cancer

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