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Compound Detail

CHEMBL5846821

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C[C@H](c1ccccc1)N1CCC(Oc2ccc(S(=O)(=O)Nc3ccon3)cc2Cl)CC1

Basic Information

ChEMBL ID CHEMBL5846821
Phase Preclinical
Structure Type MOL
InChI Key FBEYCCRGYCPRBC-MRXNPFEDSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.0
MW (Da)
4.73
ALogP
6
HBA
1
HBD
84.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN3O4S
MW 461.97
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.57

Activity Summary

IC50 6 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
IC50 5.34 5.28 4595.0 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine