Details of the Drug

General Information of Drug (ID: DM0QNF4)

Drug Name

TRx0237

Synonyms

951131-15-0; UNII-E79ZM68IOZ; E79ZM68IOZ; Leucomethylene Blue dihydrobromide; TRX0237 dihydrobromide; TRX 0237 dihydrobromide; TRX-0237 dihydrobromide; TRx0237(LMTX); TRX-0237 2HBr; Leukomethylene Blue dihydrobromide; Hydromethylthionine HBr(TRX0237); BCP24159; EX-A4299; Reduced methylene Blue dihydrobromide; N3,N3,N7,N7-Tetramethyl-10H-phenothiazine-3,7-diamine dihydrobromide; Leucomethylene Blue 2HBr;TRX0237 dihydrobromide;TRX 0237 dihydrobromide;TRX-0237 dihydrobromide

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

447.2

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C16H21Br2N3S
IUPAC Name: 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide
Canonical SMILES: CN(C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)N(C)C.Br.Br
InChI: InChI=1S/C16H19N3S.2BrH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;/h5-10,17H,1-4H3;2*1H
InChIKey: JAUPSVVTGFBHTN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 23651551
CAS Number: 951131-15-0
TTD ID: D5FSV8

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Microtubule-associated protein tau (MAPT)	TTS87KH	TAU_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Alzheimer disease

ICD Disease Classification

8A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Microtubule-associated protein tau (MAPT)	DTT	MAPT	3.76E-06	-0.22	-0.6

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01689246) Safety and Efficacy Study Evaluating TRx0237 in Subjects With Mild to Moderate Alzheimer's Disease. U.S. National Institutes of Health.
2	Mechanisms of Anticholinesterase Interference with Tau Aggregation Inhibitor Activity in a Tau-Transgenic Mouse Model. Curr Alzheimer Res. 2020;17(3):285-296.