leucomethylthioninium

Ligand id: 9274

Name: leucomethylthioninium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 46.21
Molecular weight 287.15
XLogP 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-bis(aminium)
Synonyms
leuco-methylthioninium | LMTM | LMTX | TRx-0237 | TRx0237
Database Links
PubChem CID 122173994
Search Google for chemical match using the InChIKey QTWZICCBKBYHDM-UHFFFAOYSA-P
Search Google for chemicals with the same backbone QTWZICCBKBYHDM
Search UniChem for chemical match using the InChIKey QTWZICCBKBYHDM-UHFFFAOYSA-P
Search UniChem for chemicals with the same backbone QTWZICCBKBYHDM
Comments
Leucomethylthioninium complexed with bromide or methane sulfonate (LMTX) was designed as a methylthioninium chloride (MTC, or methylene blue) analogue with improved pharmacokinetic properties [1]. MTC and LMTX are tau aggregation inhibitors with potential in Alzheimer's disease (AD) and other tau-opathies. We believe this is the compound being investigated in Phase 3 clinical trials as TRx0237.