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Compound Detail

CHEMBL2070981

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COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3cccc(F)c3)n2)cc1

Basic Information

ChEMBL ID CHEMBL2070981
Phase Preclinical
Structure Type MOL
InChI Key RHADGVIDFAHDIJ-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.59
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.63
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 C23H22FN3O3S
MW 439.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.09

Activity Summary

EC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 1
CHEMBL1866
EC50 5.21 5.21 6130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22910039 10.1016/j.bmcl.2012.07.060 Potassium voltage-gated channel subfamily KQT member 1 2

Data from ChEMBL 36 via Core Engine