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Compound Detail

CHEMBL5923842

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C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5923842
Phase Preclinical
Structure Type MOL
InChI Key TXCKAMAKLHVARQ-YWZLYKJASA-N
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.0
MW (Da)
4.53
ALogP
6
HBA
2
HBD
74.3
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 C21H23ClN4O2S2
MW 463.03
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.89

Activity Summary

IC50 9 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
 IC50 7.6 7.395 25.0 4
Sodium channel protein type 1 subunit alpha
CHEMBL1845
 IC50 5.99 5.99 1030.0 1
Unchecked
CHEMBL612545
 IC50 5.99 5.7125 1030.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 8 subunit alpha IC50 = 25.0 nM 7.6 Electrophysiological Assay: The following patch voltage clamp electrophysiology ... -
Sodium channel protein type 8 subunit alpha IC50 = 25.0 nM 7.6 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 8 subunit alpha IC50 = 25.0 nM 7.6 Electrophysiological Assay (In Vitro Assay): Sodium currents were measured using... -
Sodium channel protein type 8 subunit alpha IC50 = 167.0 nM 6.78 In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... -
Unchecked IC50 = 1030.0 nM 5.99 Electrophysiological Assay: The following patch voltage clamp electrophysiology ... -
Unchecked IC50 = 1030.0 nM 5.99 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 1 subunit alpha IC50 = 1030.0 nM 5.99 Electrophysiological Assay (In Vitro Assay): Sodium currents were measured using... -
Unchecked IC50 = 1540.0 nM 5.81 In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... -
Unchecked IC50 = 8668.0 nM 5.06 In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... -

Data from ChEMBL 36 via Core Engine