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Compound Detail

CHEMBL9484

CLOFILIUM
🧪 Phase II
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🧪 Phase II
CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL9484
Name CLOFILIUM
Phase Phase II
Structure Type MOL
InChI Key WPSYTTKBGAZSCX-UHFFFAOYSA-N

Known Names

Clofilium cation Clofilium ion
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
2
Known Names

Molecular Properties

339.0
MW (Da)
6.49
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ium
USAN Year 1979

Extended Properties

Molecular Formula C21H37ClN+
MW 338.99
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.09

Activity Summary

IC50 3 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 7.9 7.36 12.6 2
T-cell line
CHEMBL614685
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3681900 10.1021/jm00395a021 Canis familiaris 9
3572962 10.1021/jm00388a001 Canis familiaris 5
2308138 10.1021/jm00165a003 Cavia porcellus 3
- 10.1016/S0960-894X(97)00163-7 T-cell line 1
15324906 10.1016/j.bmcl.2004.06.070 Voltage-gated inwardly rectifying potassium channel KCNH2 1
21185626 10.1016/j.ejmech.2010.11.042 Voltage-gated inwardly rectifying potassium channel KCNH2 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine