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Compound Detail

CHEMBL183908

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C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(-c2cnccn2)c1

Basic Information

ChEMBL ID CHEMBL183908
Phase Preclinical
Structure Type MOL
InChI Key SRDZBCSIQDVOKY-FEAKQIBJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.17
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.70
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 C21H18FN3O
MW 347.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.47

Activity Summary

EC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2985
EC50 6.43 6.43 370.0 1

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

Data from ChEMBL 36 via Core Engine