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Compound Detail

CHEMBL2070978

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COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccnc3)n2)cc1

Basic Information

ChEMBL ID CHEMBL2070978
Phase Preclinical
Structure Type MOL
InChI Key SDELEDYMMRUSJK-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
3.40
ALogP
7
HBA
1
HBD
101.5
PSA (Ų)
0.61
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 C21H22N4O4S2
MW 458.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.21

Activity Summary

EC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 1
CHEMBL1866
EC50 5.87 5.87 1360.0 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