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Compound Detail

CHEMBL124448

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CCCc1noc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1

Basic Information

ChEMBL ID CHEMBL124448
Phase Preclinical
Structure Type MOL
InChI Key NDZHEZRTRXOGFW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.5
MW (Da)
4.25
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N3O2
MW 341.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.68

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 1
CHEMBL5135
IC50 8.0 7.785 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11689063 10.1021/jm015505u Potassium voltage-gated channel subfamily KQT member 1 2

Data from ChEMBL 36 via Core Engine