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Compound Detail

CHEMBL5973279

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

Basic Information

ChEMBL ID CHEMBL5973279
Phase Preclinical
Structure Type MOL
InChI Key BMIVUIPFPAOHMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.3
MW (Da)
4.83
ALogP
5
HBA
2
HBD
107.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15Cl2FN2O5S
MW 485.32
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 10 subunit alpha
CHEMBL4017
 IC50 9.05 9.05 0.9 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 = 0.9 nM 9.05 Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... -

Data from ChEMBL 36 via Core Engine