Compound Detail
CHEMBL4744908
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
COc1c(Cl)cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c1F
Basic Information
| ChEMBL ID | CHEMBL4744908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNZJJSNMFVNRCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.8
MW (Da)
5.07
ALogP
7
HBA
2
HBD
122.0
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human Nav1.8 expressed in HEK cells applied electrical stimulus 10... | 33335654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33335654 | 10.1021/acsmedchemlett.0c00590 | Sodium channel protein type 10 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine