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

CHEMBL5630861

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(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(Br)c(Br)n1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630861
Phase Preclinical
Structure Type MOL
InChI Key UAKNLVRVVZBQIU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

596.3
MW (Da)
5.57
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16Br2N4O3S2
MW 596.33
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.92

Activity Summary

IC50 2 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 3 subunit alpha
CHEMBL5163
 IC50 5.46 5.04 3500.0 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 = 3500.0 nM 5.46 Inhibition of human Nav1.3 expressed in CHO cells under inactivated state by aut... 37329714
Sodium channel protein type 3 subunit alpha IC50 = 24000.0 nM 4.62 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 5 subunit alpha 3
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 3 subunit alpha 2
37329714 10.1016/j.ejmech.2023.115530 Unchecked 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 1 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 2 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 4 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 8 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 9 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 10 subunit alpha 1

Data from ChEMBL 36 via Core Engine