Compound Detail
CHEMBL4076874
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
Basic Information
| ChEMBL ID | CHEMBL4076874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFULOBBVYHAEMW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.86
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 399.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 157.0 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 8.333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 18.0 | nM | 7.75 | Inhibition of slow inactivated human NaV1.7 expressed in HEK293 cells at -20 mV ... | 28684121 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human NaV1.5 expressed in HEK293 cells at -50 mV holding potential... | 28684121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28684121 | 10.1016/j.bmcl.2017.06.054 | Liver | 2 |
| 28684121 | 10.1016/j.bmcl.2017.06.054 | Sodium channel protein type 9 subunit alpha | 1 |
| 28684121 | 10.1016/j.bmcl.2017.06.054 | Unchecked | 1 |
| 28684121 | 10.1016/j.bmcl.2017.06.054 | Plasma | 1 |
| 28684121 | 10.1016/j.bmcl.2017.06.054 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine