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Compound Detail

CHEMBL6049108

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Cc1cccc(CN2CCC(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3Cl)CC2)n1

Basic Information

ChEMBL ID CHEMBL6049108
Phase Preclinical
Structure Type MOL
InChI Key CGHBGTPLSVOVBS-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.0
MW (Da)
4.34
ALogP
7
HBA
1
HBD
84.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN4O3S2
MW 479.03
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.15

Activity Summary

IC50 6 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
IC50 7.25 6.9567 56.0 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine