Details of the Drug

General Information of Drug (ID: DMUVCWY)

Drug Name

Pyridoxyl-Alanine-5-Phosphate

Synonyms

N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE; ALANYL-PYRIDOXAL-5'-PHOSPHATE; CHEBI:44770; N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine; 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID; F0G; PLP-L-Ala; Epitope ID:140625; AC1L9GV6; SCHEMBL4309695; DB04467

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): 1

Molecular Weight (mw)

320.24

Logarithm of the Partition Coefficient (xlogp)

-3.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C11H17N2O7P
IUPAC Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
Canonical SMILES: CC1=NC=C(C(=C1O)CNC(C)C(=O)O)COP(=O)(O)O
InChI: InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)
InChIKey: WACJCHFWJNNBPR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 445376
TTD ID: D0J1AY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Biosynthetic alanine racemase (MycB alr)	TT6TMZU	ALR_MYCSM	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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