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Compound Detail

CHEMBL127865

PIPEROCAINE
🧪 Phase II
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🧪 Phase II
CC1CCCCN1CCCOC(=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL127865
Name PIPEROCAINE
Phase Phase II
Structure Type MOL
InChI Key YQKAVWCGQQXBGW-UHFFFAOYSA-N

Known Names

Isocaine base Metycaine Neothesin Piperocaina Piperocaine
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names

Molecular Properties

261.4
MW (Da)
3.11
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -caine

Extended Properties

Molecular Formula C16H23NO2
MW 261.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.92

Activity Summary

IC50 3 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunits; brain (Types I, II, III)
CHEMBL2096682
IC50 4.89 4.89 13000.0 1
Unchecked
CHEMBL612545
IC50 4.89 4.89 12882.5 2

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
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2
19346132 10.1016/j.bmc.2008.10.031 No relevant target 1
24332655 10.1016/j.bmc.2013.11.049 Unchecked 1

Data from ChEMBL 36 via Core Engine