Details of the Drug

General Information of Drug (ID: DMMV1YN)

Drug Name

N-Pyridoxyl-Glycine-5-Monophosphate

Synonyms

N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE; N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]; AC1L9HCR; DB02824; N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)glycine; 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]acetic acid; [({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acetic acid

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)

306.21

Logarithm of the Partition Coefficient (xlogp)

-4.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C10H15N2O7P
IUPAC Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]acetic acid
Canonical SMILES: CC1=NC=C(C(=C1O)CNCC(=O)O)COP(=O)(O)O
InChI: InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
InChIKey: FEVQWBMNLWUBTF-UHFFFAOYSA-N