PYRIDOXAL PHOSPHATE

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Search structure


Synonyms	NSC-82388 Pyridoxal 5-phosphate Pyridoxal 5-phosphate monohydrate Pyridoxal Phosphate Pyridoxal phosphate Pyridoxal phosphate hydrate Pyridoxal phosphate monohydrate
Status
Molecule Category	Mixture
ATC	A11HA06
UNII	F06SGE49M6
EPA CompTox	DTXSID4048351


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Assay Description	Organism	Bioactivity	Reference
Inhibition of Trypanosoma cruzi recombinant trans-sialidase at 1 mM after 10 mins by MUNANA continuous fluorimetric assay	Trypanosoma cruzi	65.0 %
Antagonist activity at human recombinant P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current at 10 uM incubated for 20 mins prior to ATP-induction by two-electrode voltage clamp assay	Homo sapiens	20.1 %
Antagonist activity at mouse recombinant P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current at 10 uM incubated for 20 mins prior to ATP-induction by two-electrode voltage clamp assay	Mus musculus	13.2 %
Inhibition of recombinant Trypanosoma cruzi trans-sialidase catalytic N-terminal domain preincubated at 1 mM for 10 mins by continuous fluorimetric assay	Trypanosoma cruzi	68.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	14.54 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	30.99 %		SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	3.497 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %

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

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).