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Compound Detail

CHEMBL3955084

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O=S(=O)(Nc1ncccc1F)c1cc(F)c(Oc2ccc(Cl)cc2-c2cccc3nccn23)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3955084
Phase Preclinical
Structure Type MOL
InChI Key ACTJBFRGINIVLF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

530.9
MW (Da)
6.06
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H14ClF3N4O3S
MW 530.92
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 7.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 7.63 7.63 23.2 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 = 23.2 nM 7.63 Electrophysiological Assay (In vitro Assay): Patch voltage clamp electrophysiolo... -

Data from ChEMBL 36 via Core Engine