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Compound Detail

CHEMBL5936156

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Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1O[C@@]1(C)CCN(Cc2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL5936156
Phase Preclinical
Structure Type MOL
InChI Key PGHBQSPVIDPUTJ-QFIPXVFZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
4.43
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24FN3O3S2
MW 461.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.43

Activity Summary

IC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
IC50 6.75 6.75 178.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine