Details of the Drug

General Information of Drug (ID: DMVDCGZ)

Drug Name

Pyridoxamine

Synonyms

Pyridorin (TN)

Indication

Disease Entry	ICD 11	Status	REF
Diabetic kidney disease	GB61.Z	Phase 3	[1]
Diabetic nephropathy	GB61.Z	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

168.19

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H12N2O2
IUPAC Name: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Canonical SMILES: CC1=NC=C(C(=C1O)CN)CO
InChI: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKey: NHZMQXZHNVQTQA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Advanced glycosylation end product receptor (AGER)	TTMO9HF	RAGE_HUMAN	Inhibitor	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Pyridoxamine-phosphate oxidase (PNPO)_{Main DME}	DE3Z1RA	PNPO_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Diabetic kidney disease

ICD Disease Classification

GB61.Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Advanced glycosylation end product receptor (AGER)	DTT	AGER	7.92E-01	6.77E-03	0.04
Pyridoxamine-phosphate oxidase (PNPO)	DME	PNPO	2.99E-02	-1.61E-01	-6.72E-01

Molecular Expression Atlas (MEA)

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References

1	ClinicalTrials.gov (NCT02156843) Pyridorin in Diabetic Nephropathy. U.S. National Institutes of Health.
2	Pyridoxamine, an inhibitor of advanced glycation end product (AGE) formation ameliorates insulin resistance in obese, type 2 diabetic mice. Protein Pept Lett. 2010 Sep;17(9):1177-81.
3	An LC-MS/MS-based method for the quantification of pyridox(am)ine 5'-phosphate oxidase activity in dried blood spots from patients with epilepsy. Anal Chem. 2017 Sep 5;89(17):8892-8900.