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Compound Detail

CHEMBL3924410

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CC(C)Oc1ncc(OCc2cc3onc(NS(C)(=O)=O)c3cc2Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3924410
Phase Preclinical
Structure Type MOL
InChI Key UWLLKXCLYOOSMB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.3
MW (Da)
4.27
ALogP
7
HBA
1
HBD
103.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17Cl2N3O5S
MW 446.31
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 9 subunit alpha IC50 = 13000.0 nM 4.89 Electrophysiological Assay: Sodium currents were measured using the patch clamp ... -

Data from ChEMBL 36 via Core Engine