e-Drug3D

1797

METHYLENE BLUE


INN
METHYLENE BLUE

(has an active metabolite)

cas 61-73-4
CLASS

TREATMENT OF METHEMOGLOBINEMIA
AN OXIDATION-REDUCTION AGENT
PROMOTES A NON-ENYZMATIC REDOX CONVERSION OF METHB TO HEMOGLOBIN
CONVERTED INTO LEUCOMETHYLENE BLUE (LMB) BY NADPH REDUCTASE

ROUTE (list)

INTRAVENOUS

ATC code

V03AB17
V04CG05

PK parameters

VD 255 LITER
PPB 94 PERCENT
t1/2 24 HOUR

Solubility

SOLUBLE IN WATER


Target

TARGET NADPH REDUCTASE

PDB
5DLP (ACETYCHOLINESTERASE METHYLENE BLUE NO PEG)

Ligand code = MBT (link to the list of PDB complexes)

Download experimental 3D coordinates of MBT with added hydrogens

DrugCentral

Thioredoxin reductase 1, cytoplasmic UNIPROT Q16881

Download SDF file Phenothiazin-5-ium, 3,7-bis(dimethylamino)

Formula:
C16H18N3S

Calculated chemical properties:

MW 284.40
NB_atoms 20
XLogP 3.86
PSA 16.179
NB_HD 0
NB_HA 3
fsp3 0.25
Lipinski(0=no;1=yes) 1

FDA
NDA 204630 (pdf not found) INN (METHYLENE BLUE) PROVAYBLUE (PROVEPHARM SAS) APPROVAL= AP YEAR= 2016
NDA 215636 (pdf not found) INN (METHYLENE BLUE) METHYLENE BLUE (ZYDUS LIFESCIENCES) APPROVAL= AP YEAR= 2023
NDA 216955 (pdf not found) INN (METHYLENE BLUE) METHYLENE BLUE (STERISCIENCE) APPROVAL= AP YEAR= 2024
NDA 216959 (pdf not found) INN (METHYLENE BLUE) METHYLENE BLUE (HIKMA) APPROVAL= AP YEAR= 2024
NDA 217561 (pdf not found) INN (METHYLENE BLUE) METHYLENE BLUE (NEXUS) APPROVAL= AP YEAR= 2024
NDA 217380 (pdf not found) INN (METHYLENE BLUE) METHYLENE BLUE (MEITHEAL) APPROVAL= AP YEAR= 2025
NDA 219363 (pdf not found) INN (METHYLENE BLUE) METHYLENE BLUE (XIROMED) APPROVAL= AP YEAR= 2025

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL