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Compound Detail

CHEMBL5871830

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Cc1cccc(CN2CC[C@H](N(C)c3cc(F)c(S(=O)(=O)Nc4ncns4)c(F)c3C)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5871830
Phase Preclinical
Structure Type MOL
InChI Key BRERACUJOCTFKW-INIZCTEOSA-N
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
3.34
ALogP
8
HBA
1
HBD
91.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24F2N6O2S2
MW 494.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.04

Activity Summary

IC50 8 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
 IC50 8.7 8.2413 2.0 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 8 subunit alpha IC50 = 2.0 nM 8.7 Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... -
Sodium channel protein type 8 subunit alpha IC50 = 2.0 nM 8.7 Electrophysiological Assay: The following patch voltage clamp electrophysiology ... -
Sodium channel protein type 8 subunit alpha IC50 = 2.0 nM 8.7 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 8 subunit alpha IC50 = 2.0 nM 8.7 Electrophysiological Assay (In Vitro Assay): Sodium currents were measured using... -
Sodium channel protein type 8 subunit alpha IC50 = 10.0 nM 8.0 Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... -
Sodium channel protein type 8 subunit alpha IC50 = 10.0 nM 8.0 In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... -
Sodium channel protein type 8 subunit alpha IC50 = 12.0 nM 7.92 Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... -
Sodium channel protein type 8 subunit alpha IC50 = 62.0 nM 7.21 Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... -

Data from ChEMBL 36 via Core Engine