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

CHEMBL3657808

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
CC1(C)C2CCC1(C)C(Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3657808
Phase Preclinical
Structure Type MOL
InChI Key LOOOARQIFZVUEX-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.9
MW (Da)
3.76
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23ClFNO4S
MW 403.90
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.01

Activity Summary

IC50 6 meas. best 8.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 8.16 7.2767 6.9 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 9 subunit alpha IC50 = 6.9 nM 8.16 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 9 subunit alpha IC50 = 6.9 nM 8.16 Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... -
Sodium channel protein type 9 subunit alpha IC50 = 74.0 nM 7.13 Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... -
Sodium channel protein type 9 subunit alpha IC50 = 123.0 nM 6.91 Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... -
Sodium channel protein type 9 subunit alpha IC50 = 123.0 nM 6.91 Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... -
Sodium channel protein type 9 subunit alpha IC50 = 410.0 nM 6.39 Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... -

Data from ChEMBL 36 via Core Engine