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Compound Detail

CHEMBL3915196

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NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3915196
Phase Preclinical
Structure Type MOL
InChI Key JPNNYEVGDPYVAC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
3.60
ALogP
6
HBA
2
HBD
124.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14F2N4O4S
MW 456.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.91

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 10 subunit alpha
CHEMBL4017
 IC50 7.89 7.89 13.0 1
Unchecked
CHEMBL612545
 IC50 7.89 7.89 13.0 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 = 13.0 nM 7.89 Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... -
Unchecked IC50 = 13.0 nM 7.89 Electrophysiology Assays: Patch clamp electrophysiology was used to assess the e... -

Data from ChEMBL 36 via Core Engine