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Compound Detail

CHEMBL3952472

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O=S(=O)(Nc1noc2cc(COc3ccc(Cl)c(Cl)c3)c(Cl)cc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3952472
Phase Preclinical
Structure Type MOL
InChI Key AGJKCFDQZUWXCU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.7
MW (Da)
5.27
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13Cl3N2O4S
MW 447.73
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 5.52 5.52 3000.0 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 = 3000.0 nM 5.52 Electrophysiological Assay: Sodium currents were measured using the patch clamp ... -

Data from ChEMBL 36 via Core Engine