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Compound Detail

CHEMBL5883891

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Cc1cccc(CN2CC[C@H](N(C)c3ccc(S(=O)(=O)Nc4cnns4)cc3Cl)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5883891
Phase Preclinical
Structure Type MOL
InChI Key ZSWDWGXKRJYRBW-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.0
MW (Da)
4.01
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN5O2S2
MW 478.04
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.20

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 8 subunit alpha
CHEMBL5202
 IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 8 subunit alpha IC50 = 36.0 nM 7.44 Electrophysiological Assay (In Vitro Assay): Sodium currents were measured using... -

Data from ChEMBL 36 via Core Engine