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Compound Detail

CHEMBL5980244

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COc1cc(Cl)ccc1Oc1cc(Cl)cc(Cl)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5980244
Phase Preclinical
Structure Type MOL
InChI Key RNZZISMBTWSALT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.8
MW (Da)
5.35
ALogP
5
HBA
2
HBD
107.7
PSA (Ų)
0.47
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15Cl3N2O5S
MW 501.78
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 10 subunit alpha
CHEMBL4017
 IC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 10 subunit alpha IC50 = 0.8 nM 9.1 Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... -

Data from ChEMBL 36 via Core Engine