Compound Detail

CHEMBL82202

PYRIDOXAL PHOSPHATE ANHYDROUS

🧪 Phase III

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🧪 Phase III

Cc1ncc(COP(=O)(O)O)c(C=O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL82202
Name	PYRIDOXAL PHOSPHATE ANHYDROUS
Phase	Phase III
Structure Type	MOL
InChI Key	NGVDGCNFYWLIFO-UHFFFAOYSA-N

Known Names

NSC-82388 Pyridoxal 5'-phosphate Pyridoxal 5-phosphate Pyridoxal phosphate anhydrous

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

247.1

MW (Da)

0.52

ALogP

HBA

HBD

117.0

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C8H10NO6P
MW	247.14
Aromatic Rings	1
Heavy Atoms	16
NP-Likeness	0.85

Activity Summary

Ki 6 meas. best 5.12

EC50 3 meas. best 5.52

IC50 1 meas. best 5.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
P2X purinoceptor 1 CHEMBL2530	EC50	5.52	5.52	3000.0	1
Unchecked CHEMBL612545	Ki	5.12	5.12	7600.0	1
P2X purinoceptor 1 CHEMBL2094	IC50	5.0	5.0	10000.0	1
Low molecular weight phosphotyrosine protein phosphatase CHEMBL4903	Ki	4.89	4.89	13000.0	1
P2X purinoceptor 2 CHEMBL2531	EC50	4.4	4.4	39500.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P2X purinoceptor 1	EC50	=	3000.0	nM	5.52	The compound was evaluated for antagonist activity against recombinant rat P2X p...	12213051
Unchecked	Ki	=	7600.0	nM	5.12	Competitive inhibition of bovine LMW-PTP isoform B using para-Nitrophenyl phosph...	32631543
P2X purinoceptor 1	IC50	=	10000.0	nM	5.0	Antagonist activity at P2X1 receptor (unknown origin)	23510563
Low molecular weight phosphotyrosine protein phosphatase	Ki	=	13000.0	nM	4.89	Competitive inhibition of LMW-PTP isoform A (unknown origin)	32631543
P2X purinoceptor 2	EC50	=	39500.0	nM	4.4	The compound was evaluated for antagonist activity against recombinant rat P2X p...	12213051

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
15324900	10.1016/j.bmcl.2004.06.079	Unchecked	4
6339724	10.1021/jm00358a027	ADMET	3
12904072	10.1021/jm0300678	Rattus norvegicus	3
20014752	10.1021/tx900326k	Hepatotoxicity	3
37468498	10.1038/s41467-023-40064-9	Prostaglandin G/H synthase 1	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M1	2
37468498	10.1038/s41467-023-40064-9	Thromboxane A2 receptor	2
21944860	10.1016/j.bmcl.2011.08.123	Unchecked	2
23510563	10.1016/j.bmc.2013.01.073	P2X purinoceptor 1	2
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	2
24035092	10.1016/j.bmcl.2013.08.079	Receptor-type tyrosine-protein phosphatase beta	2
20335038	10.1016/j.bmc.2010.02.053	Unchecked	1
12213051	10.1021/jm020046y	P2X purinoceptor 1	1
15324900	10.1016/j.bmcl.2004.06.079	Rattus norvegicus	1
12904072	10.1021/jm0300678	Unchecked	1
-	10.1016/0960-894X(96)00452-0	Multifunctional protein CAD	1

Data from ChEMBL 36 via Core Engine