Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5630002

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630002
Phase Preclinical
Structure Type MOL
InChI Key IZTOXBAVGARGNF-DLBZAZTESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.69
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O3S2
MW 399.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.88

Activity Summary

IC50 2 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 3 subunit alpha
CHEMBL5163
 IC50 7.25 6.0 56.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 3 subunit alpha IC50 = 56.0 nM 7.25 Inhibition of human Nav1.3 expressed in CHO cells under inactivated state by aut... 37329714
Sodium channel protein type 3 subunit alpha IC50 = 18000.0 nM 4.75 Inhibition of human Nav1.3 expressed in CHO cells under resting state by automat... 37329714

Literature References

PubMed DOI Target Context # Activities
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 3 subunit alpha 2

Data from ChEMBL 36 via Core Engine