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Compound Detail

CHEMBL5872218

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CCN(c1ccc(S(=O)(=O)Nc2ncns2)cc1Cl)[C@H]1CCN(Cc2cccc(C)c2)C1

Basic Information

ChEMBL ID CHEMBL5872218
Phase Preclinical
Structure Type MOL
InChI Key UPJXEWCQPSMPFR-SFHVURJKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.1
MW (Da)
4.40
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN5O2S2
MW 492.07
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.11

Activity Summary

IC50 2 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
IC50 6.71 6.71 195.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine