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

CHEMBL5286125

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
CS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(C3CC3)c(Cl)c2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5286125
Phase Preclinical
Structure Type MOL
InChI Key BJBQASWPUALPOY-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

419.3
MW (Da)
3.89
ALogP
5
HBA
1
HBD
85.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2FN2O4S
MW 419.26
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.19

Activity Summary

IC50 5 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 7.52 7.52 30.0 1
Sodium channel protein type 9 subunit alpha/beta-1/beta-2
CHEMBL4630765
 IC50 7.28 7.28 52.0 1
Sodium channel protein type 9 subunit alpha/beta-1/beta-2
CHEMBL4630766
 IC50 5.77 5.77 1700.0 1
Sodium channel protein type 1 subunit alpha/beta-1/beta-2
CHEMBL4630760
 IC50 4.66 4.66 22000.0 1
Sodium channel protein type 5 subunit alpha/beta-1/beta-2
CHEMBL4630763
 IC50 4.54 4.54 29000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 9 subunit alpha IC50 = 30.0 nM 7.52 Inhibition of human Nav1.7 in inactivated condition by manual patch-clamp assay 36092147
Sodium channel protein type 9 subunit alpha/beta-1/beta-2 IC50 = 52.0 nM 7.28 Inhibition of human Nav1.7/beta1/2 transfected in HEK293-A cells assessed as inh... 37312847
Sodium channel protein type 9 subunit alpha/beta-1/beta-2 IC50 = 1700.0 nM 5.77 Inhibition of mouse Nav1.7/beta1/2 transfected in HEK293-A cells assessed as inh... 37312847
Sodium channel protein type 1 subunit alpha/beta-1/beta-2 IC50 = 22000.0 nM 4.66 Inhibition of human Nav1.1/beta1/2 transfected in HEK293-A cells assessed as inh... 37312847
Sodium channel protein type 5 subunit alpha/beta-1/beta-2 IC50 = 29000.0 nM 4.54 Inhibition of human Nav1.5/beta1/2 transfected in HEK293-A cells assessed as inh... 37312847

Literature References

PubMed DOI Target Context # Activities
37312847 10.1021/acsmedchemlett.3c00079 Sodium channel protein type 9 subunit alpha/beta-1/beta-2 2
36092147 10.1039/d2md00081d Sodium channel protein type 9 subunit alpha 1
37312847 10.1021/acsmedchemlett.3c00079 Sodium channel protein type 1 subunit alpha/beta-1/beta-2 1
37312847 10.1021/acsmedchemlett.3c00079 Sodium channel protein type 5 subunit alpha/beta-1/beta-2 1

Data from ChEMBL 36 via Core Engine