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Compound Detail

CHEMBL6043023

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CN(c1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl)[C@H]1CCN(C(C)(C)c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6043023
Phase Preclinical
Structure Type MOL
InChI Key MAJGZYVKONIHCS-SFHVURJKSA-N
3
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

521.0
MW (Da)
5.26
ALogP
5
HBA
1
HBD
65.5
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClF2N4O2S
MW 521.03
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.59

Activity Summary

IC50 14 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
 IC50 6.08 5.9767 842.0 6
Sodium channel protein type 1 subunit alpha
CHEMBL1845
 IC50 5.13 5.075 7352.0 2
Unchecked
CHEMBL612545
 IC50 5.13 5.0317 7352.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 8 subunit alpha IC50 = 842.0 nM 6.08 Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... -
Sodium channel protein type 8 subunit alpha IC50 = 842.0 nM 6.08 Electrophysiological Assay: The following patch voltage clamp electrophysiology ... -
Sodium channel protein type 8 subunit alpha IC50 = 842.0 nM 6.08 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 8 subunit alpha IC50 = 842.0 nM 6.08 Electrophysiological Assay (In Vitro Assay): Sodium currents were measured using... -
Sodium channel protein type 8 subunit alpha IC50 = 1681.0 nM 5.77 Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... -
Sodium channel protein type 8 subunit alpha IC50 = 1681.0 nM 5.77 In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... -
Sodium channel protein type 1 subunit alpha IC50 = 7352.0 nM 5.13 Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... -
Unchecked IC50 = 7352.0 nM 5.13 In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... -
Unchecked IC50 = 9643.0 nM 5.02 Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... -
Unchecked IC50 = 9643.0 nM 5.02 Electrophysiological Assay: The following patch voltage clamp electrophysiology ... -
Unchecked IC50 = 9643.0 nM 5.02 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 1 subunit alpha IC50 = 9643.0 nM 5.02 Electrophysiological Assay (In Vitro Assay): Sodium currents were measured using... -
Unchecked IC50 = 10086.0 nM 5.0 Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... -
Unchecked IC50 = 10086.0 nM 5.0 In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... -

Data from ChEMBL 36 via Core Engine