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Compound Detail

CHEMBL385237

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CCc1c2c(n(C)c1C)CCC/C2=N\OC(=O)Nc1ccc(C(C)=O)cc1

Basic Information

ChEMBL ID CHEMBL385237
Phase Preclinical
Structure Type MOL
InChI Key ZJXVWSSQCJBGJJ-PTGBLXJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
4.39
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O3
MW 367.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 5
CHEMBL4306
IC50 6.43 6.43 368.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16942878 10.1016/j.bmcl.2006.08.059 Potassium voltage-gated channel subfamily A member 5 2

Data from ChEMBL 36 via Core Engine