Details of the Drug

General Information of Drug (ID: DM3ZHBO)

Drug Name

N'-Pyridoxyl-Lysine-5'-Monophosphate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

377.33

Logarithm of the Partition Coefficient (xlogp)

-6

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C14H24N3O7P
IUPAC Name: (2R)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanoic acid
Canonical SMILES: CC1=NC=C(C(=C1O)CNCCCC[C@H](C(=O)O)N)COP(=O)(O)O
InChI: InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6,12,16,18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m1/s1
InChIKey: FIXMYVJXXYQYGI-GFCCVEGCSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Cystathionine gamma-synthase (Bact metB)	TTDU0HP	METB_ECOLI	Inhibitor	[1]
Glycogen phosphorylase muscle form (GP)	TTZHY6R	PYGM_HUMAN	Inhibitor	[1]
Ornithine decarboxylase (ODC1)	TTUMGNO	DCOR_HUMAN	Inhibitor	[1]
Pseudomonas Methionine gamma-lyase (Pseudo mdeA)	TT1UY5C	MEGL_PSEPU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycogen phosphorylase muscle form (GP)	DTT	PYGM	2.69E-01	-0.23	-0.14

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.