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Compound Detail

CHEMBL5768430

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CN(c1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1Cl)C1CCN(Cc2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL5768430
Phase Preclinical
Structure Type MOL
InChI Key KDBCNDYXFRQBOP-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.0
MW (Da)
4.59
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClF2N4O2S2
MW 499.01
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.90

Activity Summary

IC50 4 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
IC50 6.82 6.6525 152.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine