Compound Detail
CHEMBL3325524
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=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F
Basic Information
| ChEMBL ID | CHEMBL3325524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCGIYHGXHMLCPX-ZFWWWQNUSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
501.0
MW (Da)
4.04
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.7 | 8.2225 | 2.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as red... | 28234467 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 3.3 | nM | 8.48 | Inhibition of Nav1.7 (unknown origin) | 25060923 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 3.3 | nM | 8.48 | Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodiu... | 25176194 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodiu... | 25176194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25176194 | 10.1016/j.bmcl.2014.08.017 | Sodium channel protein type 9 subunit alpha | 2 |
| 25176194 | 10.1016/j.bmcl.2014.08.017 | Sodium channel protein type 5 subunit alpha | 2 |
| 25176194 | 10.1016/j.bmcl.2014.08.017 | Cytochrome P450 3A4 | 2 |
| 25176194 | 10.1016/j.bmcl.2014.08.017 | Cytochrome P450 2D6 | 2 |
| 25176194 | 10.1016/j.bmcl.2014.08.017 | Cytochrome P450 2C9 | 2 |
| 25176194 | 10.1016/j.bmcl.2014.08.017 | Cytochrome P450 2C19 | 2 |
| 25060923 | 10.1016/j.bmcl.2014.06.038 | Sodium channel protein type 9 subunit alpha | 1 |
| 25060923 | 10.1016/j.bmcl.2014.06.038 | Sodium channel protein type 5 subunit alpha | 1 |
| 28234467 | 10.1021/acs.jmedchem.6b01918 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine