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Compound Detail

CHEMBL1314065

METHYLBENZETHONIUM
🧪 Phase II
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🧪 Phase II
Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1314065
Name METHYLBENZETHONIUM
Phase Phase II
Structure Type MOL
InChI Key UQOOPIMXBSPVJI-UHFFFAOYSA-N

Known Names

Methylbenzethonium cation Methylbenzethonium ion
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
2
Known Names

Molecular Properties

426.7
MW (Da)
6.38
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ium; -onium

Extended Properties

Molecular Formula C28H44NO2+
MW 426.67
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine