PYRIDOXAL PHOSPHATE

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Synonyms
Status
Molecule Category Free-form
ATC A11HA06
UNII F06SGE49M6
EPA CompTox DTXSID4048351

Structure

InChI Key NGVDGCNFYWLIFO-UHFFFAOYSA-N
Smiles Cc1ncc(COP(=O)(O)O)c(C=O)c1O
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12NO7P
Molecular Weight 265.16
AlogP 0.52
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 116.95
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel P2X receptor
- - - - 13.2-20.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 20.1
Mus musculus
- - - - 13.2
Trypanosoma cruzi
- - - - 65-68

Cross References

Resources Reference
ChEBI 18405
ChEMBL CHEMBL82202
DrugBank DB00114
DrugCentral 3506
FDA SRS F06SGE49M6
Human Metabolome Database HMDB0001491
Guide to Pharmacology 5249
KEGG C00018
PDB PLP
PharmGKB PA164749650
PubChem 38882
SureChEMBL SCHEMBL23158
ZINC ZINC000001532514
ChEMBL CHEMBL3181870
FDA SRS 5V5IOJ8338
PubChem 38882
SureChEMBL SCHEMBL827100
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