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Compound Detail

CHEMBL361184

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C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(-c2ccc(F)nc2)c1

Basic Information

ChEMBL ID CHEMBL361184
Phase Preclinical
Structure Type MOL
InChI Key UZXOICNXSPXWIT-PABFRNLHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
4.92
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18F2N2O
MW 364.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.20

Activity Summary

EC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2985
EC50 8.0 8.0 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15603955 10.1016/j.bmcl.2004.10.065 Potassium voltage-gated channel subfamily KQT member 2 2
24070783 10.1016/j.bmcl.2013.08.092 Potassium voltage-gated channel subfamily KQT member 2 2

Data from ChEMBL 36 via Core Engine