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Compound Detail

CHEMBL5903011

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CN(C)S(=O)(=O)NC(=O)c1ccc2c(-c3ccc(C(F)F)cc3)cn(C)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5903011
Phase Preclinical
Structure Type MOL
InChI Key VCAQQRMCUWNJHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.32
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F2N3O3S
MW 407.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 5.72 5.72 1906.0 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 = 1906.0 nM 5.72 Automated Electrophysiology (Barra): Ion Works Barracuda population patch clamp ... -

Data from ChEMBL 36 via Core Engine