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Compound Detail

CHEMBL127487

CYCLOMETHYCAINE
🧪 Phase II
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🧪 Phase II
CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL127487
Name CYCLOMETHYCAINE
Phase Phase II
Structure Type MOL
InChI Key YLRNESBGEGGQBK-UHFFFAOYSA-N

Known Names

Ciclometicaina Cyclocaine Cyclomethycaine Surfathesin Topocaine
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
5
Known Names

Molecular Properties

359.5
MW (Da)
4.82
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -caine

Extended Properties

Molecular Formula C22H33NO3
MW 359.51
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunits; brain (Types I, II, III)
CHEMBL2096682
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2579237 10.1021/jm00381a019 Sodium channel alpha subunits; brain (Types I, II, III) 2

Data from ChEMBL 36 via Core Engine