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Compound Detail

CHEMBL549963

HYDROMETHYLTHIONINE
🧪 Phase III
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🧪 Phase III
CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL549963
Name HYDROMETHYLTHIONINE
Phase Phase III
Structure Type MOL
InChI Key QTWZICCBKBYHDM-UHFFFAOYSA-N

Known Names

Hidrometiltionina Hydromethylthionine Leucomethylene blue Leukomethylene blue Methylene blue leuco form Methylene blue, leuco Reduced methylene blue
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
7
Known Names

Molecular Properties

285.4
MW (Da)
4.03
ALogP
4
HBA
1
HBD
18.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 2018

Extended Properties

Molecular Formula C16H19N3S
MW 285.42
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
17967916 10.1128/aac.00773-07 No relevant target 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
30107970 10.1016/j.bmc.2018.08.007 Microtubule-associated protein tau 1
32738978 10.1016/j.bmcl.2020.127370 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine